(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

C20H22N4OS — CID 92891762

IUPAC(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)c1C
InChIInChI=1S/C20H22N4OS/c1-13-6-3-8-16(14(13)2)22-18(25)15-7-5-11-24(12-15)20-23-17-9-4-10-21-19(17)26-20/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyFAXKLLKOJJXWAV-HNNXBMFYSA-N
MW366.49 g/mol
LogP4.16
Rot. Bonds3

About (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 92891762) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID92891762
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)c1C
InChIInChI=1S/C20H22N4OS/c1-13-6-3-8-16(14(13)2)22-18(25)15-7-5-11-24(12-15)20-23-17-9-4-10-21-19(17)26-20/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyFAXKLLKOJJXWAV-HNNXBMFYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50793221
(3R)-N-(4-chloro-2-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117277
(3S)-N-(3-fluoro-4-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117314
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068920
N-[2-(2-methylphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952200
N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53007595
(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068918
N-[3-[(3,5-dimethylphenyl)carbamoyl]phenyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50843523
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92765070
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068908

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 92891762) is (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)c1C.
What is the InChIKey of (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is FAXKLLKOJJXWAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13-6-3-8-16(14(13)2)22-18(25)15-7-5-11-24(12-15)20-23-17-9-4-10-21-19(17)26-20/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92891762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).