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

C16H19N3OS — CID 43707323

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3CCCNC3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-6-14(8-12)19-16(20)13-5-3-7-17-9-13/h2,4,6,8,10,13,17H,3,5,7,9H2,1H3,(H,19,20)
InChIKeyXTBOJUYAOBTTHF-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.06
Rot. Bonds3

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

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 43707323) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID43707323
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3CCCNC3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-6-14(8-12)19-16(20)13-5-3-7-17-9-13/h2,4,6,8,10,13,17H,3,5,7,9H2,1H3,(H,19,20)
InChIKeyXTBOJUYAOBTTHF-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 9166489
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364047
2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941008
2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675510
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 119943913
(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100795995
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641452
(3R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986503
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 43707323) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)C3CCCNC3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is XTBOJUYAOBTTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-6-14(8-12)19-16(20)13-5-3-7-17-9-13/h2,4,6,8,10,13,17H,3,5,7,9H2,1H3,(H,19,20).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43707323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).