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

C15H18ClN3OS — CID 119164418

IUPACN-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2nccs2)c1)C1CCNCC1
InChIInChI=1S/C15H17N3OS.ClH/c19-14(11-4-6-16-7-5-11)18-13-3-1-2-12(10-13)15-17-8-9-20-15;/h1-3,8-11,16H,4-7H2,(H,18,19);1H
InChIKeyWITASPCQLTYPCT-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.17
Rot. Bonds3

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

N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119164418) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119164418
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2nccs2)c1)C1CCNCC1
InChIInChI=1S/C15H17N3OS.ClH/c19-14(11-4-6-16-7-5-11)18-13-3-1-2-12(10-13)15-17-8-9-20-15;/h1-3,8-11,16H,4-7H2,(H,18,19);1H
InChIKeyWITASPCQLTYPCT-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 51090657
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119399884
1-(2,4-dimethylphenyl)sulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 55991355
1-[(3R)-thian-3-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 96528063
4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120916709
N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 146702201
5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 87047322
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline
CID 54864565
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119707800

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119164418) is N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(-c2nccs2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is WITASPCQLTYPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS.ClH/c19-14(11-4-6-16-7-5-11)18-13-3-1-2-12(10-13)15-17-8-9-20-15;/h1-3,8-11,16H,4-7H2,(H,18,19);1H.
What are the key properties of N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 323.85 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119164418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).