1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one

C16H19N3O2S — CID 95778967

IUPAC1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1csc([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1
InChIInChI=1S/C16H19N3O2S/c1-11-10-22-15(17-11)13-4-3-6-19(9-13)16(21)12-5-7-18(2)14(20)8-12/h5,7-8,10,13H,3-4,6,9H2,1-2H3/t13-/m0/s1
InChIKeyCEOLOCXMOFNBRH-ZDUSSCGKSA-N
MW317.41 g/mol
LogP2.17
Rot. Bonds2

About 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one

1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 95778967) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID95778967
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1csc([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1
InChIInChI=1S/C16H19N3O2S/c1-11-10-22-15(17-11)13-4-3-6-19(9-13)16(21)12-5-7-18(2)14(20)8-12/h5,7-8,10,13H,3-4,6,9H2,1-2H3/t13-/m0/s1
InChIKeyCEOLOCXMOFNBRH-ZDUSSCGKSA-N
XLogP2.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one (CID 95778967) is 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one is Cc1csc([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1.
What is the InChIKey of 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is CEOLOCXMOFNBRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-10-22-15(17-11)13-4-3-6-19(9-13)16(21)12-5-7-18(2)14(20)8-12/h5,7-8,10,13H,3-4,6,9H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?
1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 317.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 95778967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).