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

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 ℃ at 760 mmHg
Density:	1.256 g/cm³
Appearance:	Solid
MDL:	MFCD01417996
LogP:	2.09970

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

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Related Functional Groups

Benzoxazole/Benzothiazole

[16263-54-0]
3,6-Dichlorobenzo[d]isoxazole
[313402-37-8]
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[55202-46-5]
5,7-Dichloro-2-methylbenzoxazole
[1035840-42-6]
1-(1,3-Benzoxazol-2-yl)piperidin-4-one
[19654-14-9]
2-(3-Bromophenyl)benzothiazole

Oxazole/Thiazole

[16188-30-0]
4-Thiazolemethanamine
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[132089-38-4]
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate
[54001-12-6]
ETHYL 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
[937598-26-0]
Ethyl 2-(butylamino)-4-(chloromethyl)-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

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