6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C14H15N3O2S — CID 29181144

IUPAC6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C14H15N3O2S/c18-12-6-3-4-10(16-12)14(19)17-8-2-1-5-11(17)13-15-7-9-20-13/h3-4,6-7,9,11H,1-2,5,8H2,(H,16,18)/t11-/m0/s1
InChIKeyUKGYLUTWTPBIEB-NSHDSACASA-N
MW289.36 g/mol
LogP2.20
Rot. Bonds2

About 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 29181144) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID29181144
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C14H15N3O2S/c18-12-6-3-4-10(16-12)14(19)17-8-2-1-5-11(17)13-15-7-9-20-13/h3-4,6-7,9,11H,1-2,5,8H2,(H,16,18)/t11-/m0/s1
InChIKeyUKGYLUTWTPBIEB-NSHDSACASA-N
XLogP2.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 29181144) is 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is UKGYLUTWTPBIEB-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-12-6-3-4-10(16-12)14(19)17-8-2-1-5-11(17)13-15-7-9-20-13/h3-4,6-7,9,11H,1-2,5,8H2,(H,16,18)/t11-/m0/s1.
What are the key properties of 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 289.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 29181144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).