2-(4-piperidinyl)-1,3-benzothiazole - CAS 51784-73-7

Catalog:	BB027585
Product Name:	2-(4-piperidinyl)-1,3-benzothiazole
CAS:	51784-73-7
Synonyms:	2-(4-piperidinyl)-1,3-benzothiazole; 2-piperidin-4-yl-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-piperidin-4-yl-1,3-benzothiazole
Description:	2-(4-piperidinyl)-1,3-benzothiazole (CAS# 51784-73-7) is a useful research chemical.
Molecular Weight:	218.32
Molecular Formula:	C12H14N2S
Canonical SMILES:	C1CNCCC1C2=NC3=CC=CC=C3S2
InChI:	InChI=1S/C12H14N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChI Key:	CYASANLJWAJEPW-UHFFFAOYSA-N
Boiling Point:	393 °C at 760 mmHg
Purity:	95 %
Density:	1.288 g/cm³
Solubility:	>32.7 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD01815501
LogP:	3.09210

Publication Number	Title	Priority Date
WO-2021105117-A1	Substituted aminoquinolones as dgkalpha inhibitors for immune activation	20191128
US-10961238-B2	Modulators of hedgehog (Hh) signaling pathway	20161026
AU-2016324483-A1	Methods and compositions of inhibiting DCN1-UBC12 interaction	20150918
CA-2998753-A1	Methods and compositions of inhibiting dcn1-ubc12 interaction	20150918
EP-3349743-A1	Methods and compositions of inhibiting dcn1-ubc12 interaction	20150918

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Related Functional Groups

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1-(1,3-Benzoxazol-2-yl)piperidin-4-one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.08776963
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.08776963
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5