(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H20ClN3O2S — CID 120637089

IUPAC(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc(O)c3)cs2)CCN1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-10-7-12(5-6-17-10)15(21)19-16-18-14(9-22-16)11-3-2-4-13(20)8-11;/h2-4,8-10,12,17,20H,5-7H2,1H3,(H,18,19,21);1H/t10-,12-;/m0./s1
InChIKeyZWTCDEZGJQYLLE-JGAZGGJJSA-N
MW353.88 g/mol
LogP3.26
Rot. Bonds3

About (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120637089) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120637089
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc(O)c3)cs2)CCN1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-10-7-12(5-6-17-10)15(21)19-16-18-14(9-22-16)11-3-2-4-13(20)8-11;/h2-4,8-10,12,17,20H,5-7H2,1H3,(H,18,19,21);1H/t10-,12-;/m0./s1
InChIKeyZWTCDEZGJQYLLE-JGAZGGJJSA-N
XLogP3.26
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 120618174
2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634432
ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 13177556
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120620807
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120620482
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
(2S,4S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634745
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406366

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120637089) is (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc(O)c3)cs2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZWTCDEZGJQYLLE-JGAZGGJJSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-10-7-12(5-6-17-10)15(21)19-16-18-14(9-22-16)11-3-2-4-13(20)8-11;/h2-4,8-10,12,17,20H,5-7H2,1H3,(H,18,19,21);1H/t10-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).