(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride

C17H19ClN4OS — CID 119677623

IUPAC(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C17H18N4OS.ClH/c22-16(14-3-1-2-8-18-14)19-13-6-4-12(5-7-13)15-11-21-9-10-23-17(21)20-15;/h4-7,9-11,14,18H,1-3,8H2,(H,19,22);1H/t14-;/m0./s1
InChIKeyVXPUPOBMKPYUMC-UQKRIMTDSA-N
MW362.89 g/mol
LogP3.57
Rot. Bonds3

About (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119677623) has the molecular formula C17H19ClN4OS and a molecular weight of 362.89 g/mol. Its IUPAC name is (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119677623
Molecular FormulaC17H19ClN4OS
Molecular Weight362.89 g/mol
Exact Mass362.10
IUPAC Name(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C17H18N4OS.ClH/c22-16(14-3-1-2-8-18-14)19-13-6-4-12(5-7-13)15-11-21-9-10-23-17(21)20-15;/h4-7,9-11,14,18H,1-3,8H2,(H,19,22);1H/t14-;/m0./s1
InChIKeyVXPUPOBMKPYUMC-UQKRIMTDSA-N
XLogP3.57
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677602
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677624
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119264905
3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119677611
(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
CID 120917971
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide
CID 112765212
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269600
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide
CID 120783350
1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
CID 167874862
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride (CID 119677623) is (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is VXPUPOBMKPYUMC-UQKRIMTDSA-N. The full InChI is InChI=1S/C17H18N4OS.ClH/c22-16(14-3-1-2-8-18-14)19-13-6-4-12(5-7-13)15-11-21-9-10-23-17(21)20-15;/h4-7,9-11,14,18H,1-3,8H2,(H,19,22);1H/t14-;/m0./s1.
What are the key properties of (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 362.89 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119677623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).