(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide

C15H16N4O2S — CID 94176222

IUPAC(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1nc(NC(=O)[C@@H]2CCC(=O)NC2)sc1-c1ccccn1
InChIInChI=1S/C15H16N4O2S/c1-9-13(11-4-2-3-7-16-11)22-15(18-9)19-14(21)10-5-6-12(20)17-8-10/h2-4,7,10H,5-6,8H2,1H3,(H,17,20)(H,18,19,21)/t10-/m1/s1
InChIKeyAJULPHLOPHKWRI-SNVBAGLBSA-N
MW316.39 g/mol
LogP1.98
Rot. Bonds3

About (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide

(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 94176222) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID94176222
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1nc(NC(=O)[C@@H]2CCC(=O)NC2)sc1-c1ccccn1
InChIInChI=1S/C15H16N4O2S/c1-9-13(11-4-2-3-7-16-11)22-15(18-9)19-14(21)10-5-6-12(20)17-8-10/h2-4,7,10H,5-6,8H2,1H3,(H,17,20)(H,18,19,21)/t10-/m1/s1
InChIKeyAJULPHLOPHKWRI-SNVBAGLBSA-N
XLogP1.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
1-(cyclopropanecarbonyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 31154278
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176221
(4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31158277
1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46404152
6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 31519632
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 31519600
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94174817
(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 52505416
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
3-bromo-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 42936860

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 94176222) is (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide is Cc1nc(NC(=O)[C@@H]2CCC(=O)NC2)sc1-c1ccccn1.
What is the InChIKey of (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is AJULPHLOPHKWRI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-13(11-4-2-3-7-16-11)22-15(18-9)19-14(21)10-5-6-12(20)17-8-10/h2-4,7,10H,5-6,8H2,1H3,(H,17,20)(H,18,19,21)/t10-/m1/s1.
What are the key properties of (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 94176222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).