2-Piperazin-1-yl-1,3-benzothiazole - CAS 55745-83-0

Name: 2-Piperazin-1-yl-1,3-benzothiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029159
Product Name:	2-Piperazin-1-yl-1,3-benzothiazole
CAS:	55745-83-0
Synonyms:	2-piperazin-1-yl-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-piperazin-1-yl-1,3-benzothiazole
Description:	2-Piperazin-1-yl-1,3-benzothiazole (CAS# 55745-83-0) is a useful compound in the study of 1,8-Naphthyridone derivatives as potential inhibitor of HIV-1 replication.
Molecular Weight:	219.31
Molecular Formula:	C11H13N3S
Canonical SMILES:	C1CN(CCN1)C2=NC3=CC=CC=C3S2
InChI:	InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:	LLQMZXMBCQNMJV-UHFFFAOYSA-N
Boiling Point:	370.5 °C at 760 mmHg
Density:	1.256 g/cm³
Appearance:	Solid
MDL:	MFCD01417996
LogP:	2.09970

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Related Functional Groups

Benzoxazole/Benzothiazole

[313402-37-8]C14H12N2S
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[1326714-98-0]C7H4BrNS
4-Bromobenzo[d]isothiazole
[101253-50-3]C8H7ClN2S
5-Chloro-2-methylbenzo[d]thiazol-6-amine
[70785-26-1]C14H12N2S
N-(4-methylphenyl)benzothiazol-2-amine
[50710-33-3]C8H4Cl3NO
5,7-Dichloro-2-(chloromethyl)benzoxazole
[6481-01-2]C7H2Cl3NO
2,5,7-Trichlorobenzoxazole

Oxazole/Thiazole

[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[885681-46-9]C14H15NO3S
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[19749-93-0]C9H11ClN2O3S
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[24043-97-8]C10H9NO2S2
Ethyl 2-(2-thienyl)thiazole-4-carboxylate
[132089-38-4]C12H9Cl2NO2S
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate
[54001-12-6]C13H12ClNO2S
ETHYL 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020198526-A2	Small molecule modulators of pank	20190327
EP-3645531-A1	Thiazole compounds useful as prmt5 inhibitors	20170629
US-2020123147-A1	Thiazole compounds useful as prmt5 inhibitors	20170629
WO-2019002074-A1	THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PRMT5	20170629
US-10221168-B1	Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof	20150218

PMID	Publication Date	Title	Journal
21699718	20110623	Semantic inference using chemogenomics data for drug discovery	BMC bioinformatics
16506293	20061001	A structure-activity relationship study of compounds with antihistamine activity	Biomedical chromatography : BMC

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.0830186
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.0830186
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1