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

C17H21N3O2S — CID 95767999

IUPAC4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCc1csc([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1
InChIInChI=1S/C17H21N3O2S/c1-3-14-11-23-16(18-14)13-5-4-7-20(10-13)17(22)12-6-8-19(2)15(21)9-12/h6,8-9,11,13H,3-5,7,10H2,1-2H3/t13-/m0/s1
InChIKeyPTPUGYHUPAZDOL-ZDUSSCGKSA-N
MW331.44 g/mol
LogP2.42
Rot. Bonds3

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

4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 95767999) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID95767999
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCc1csc([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1
InChIInChI=1S/C17H21N3O2S/c1-3-14-11-23-16(18-14)13-5-4-7-20(10-13)17(22)12-6-8-19(2)15(21)9-12/h6,8-9,11,13H,3-5,7,10H2,1-2H3/t13-/m0/s1
InChIKeyPTPUGYHUPAZDOL-ZDUSSCGKSA-N
XLogP2.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 95767999) is 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one is CCc1csc([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1.
What is the InChIKey of 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is PTPUGYHUPAZDOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-14-11-23-16(18-14)13-5-4-7-20(10-13)17(22)12-6-8-19(2)15(21)9-12/h6,8-9,11,13H,3-5,7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 331.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 95767999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).