N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride

C16H20ClN3OS — CID 119282743

IUPACN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1-c1csc(NC(=O)C2CCCNC2)n1.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-5-2-3-7-13(11)14-10-21-16(18-14)19-15(20)12-6-4-8-17-9-12;/h2-3,5,7,10,12,17H,4,6,8-9H2,1H3,(H,18,19,20);1H
InChIKeyFRXYDZLVYOTBGJ-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.48
Rot. Bonds3

About N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119282743) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119282743
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1-c1csc(NC(=O)C2CCCNC2)n1.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-5-2-3-7-13(11)14-10-21-16(18-14)19-15(20)12-6-4-8-17-9-12;/h2-3,5,7,10,12,17H,4,6,8-9H2,1H3,(H,18,19,20);1H
InChIKeyFRXYDZLVYOTBGJ-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282737
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 75921279
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119711409
N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406366
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119679962
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 39011385
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119261708
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119282743) is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride is Cc1ccccc1-c1csc(NC(=O)C2CCCNC2)n1.Cl.
What is the InChIKey of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is FRXYDZLVYOTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.ClH/c1-11-5-2-3-7-13(11)14-10-21-16(18-14)19-15(20)12-6-4-8-17-9-12;/h2-3,5,7,10,12,17H,4,6,8-9H2,1H3,(H,18,19,20);1H.
What are the key properties of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 337.88 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119282743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).