(3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide

C10H13N3O2S — CID 94176809

IUPAC(3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CCC(=O)NC2)s1
InChIInChI=1S/C10H13N3O2S/c1-6-4-12-10(16-6)13-9(15)7-2-3-8(14)11-5-7/h4,7H,2-3,5H2,1H3,(H,11,14)(H,12,13,15)/t7-/m0/s1
InChIKeyVGSRQKPHJRKZIK-ZETCQYMHSA-N
MW239.30 g/mol
LogP0.92
Rot. Bonds2

About (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide

(3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 94176809) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID94176809
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name(3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CCC(=O)NC2)s1
InChIInChI=1S/C10H13N3O2S/c1-6-4-12-10(16-6)13-9(15)7-2-3-8(14)11-5-7/h4,7H,2-3,5H2,1H3,(H,11,14)(H,12,13,15)/t7-/m0/s1
InChIKeyVGSRQKPHJRKZIK-ZETCQYMHSA-N
XLogP0.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 163368407
N-(5-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2579380
[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44456032
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 163368433
N-{5-[(4-methylpiperidyl)methyl]-1,3-thiazol-2-yl}acetamide
CID 671270
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 45824857
N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide
CID 71916802
N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18072746
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
CID 25661258
2,2-dimethyl-N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]propanamide
CID 40137156
N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 40151424
(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 94192420

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 94176809) is (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide is Cc1cnc(NC(=O)[C@H]2CCC(=O)NC2)s1.
What is the InChIKey of (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is VGSRQKPHJRKZIK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-4-12-10(16-6)13-9(15)7-2-3-8(14)11-5-7/h4,7H,2-3,5H2,1H3,(H,11,14)(H,12,13,15)/t7-/m0/s1.
What are the key properties of (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 94176809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).