3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one

C11H15N3O2S — CID 79363726

IUPAC3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one
SMILESCC(=O)c1c(C)nsc1NC1CCCNC1=O
InChIInChI=1S/C11H15N3O2S/c1-6-9(7(2)15)11(17-14-6)13-8-4-3-5-12-10(8)16/h8,13H,3-5H2,1-2H3,(H,12,16)
InChIKeyRGGCBSQSLRUHBT-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.34
Rot. Bonds3

About 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one (PubChem CID 79363726) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one
PubChem CID79363726
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one
SMILESCC(=O)c1c(C)nsc1NC1CCCNC1=O
InChIInChI=1S/C11H15N3O2S/c1-6-9(7(2)15)11(17-14-6)13-8-4-3-5-12-10(8)16/h8,13H,3-5H2,1-2H3,(H,12,16)
InChIKeyRGGCBSQSLRUHBT-UHFFFAOYSA-N
XLogP1.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid
CID 79401905
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
CID 79364110
1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79375328
1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363429
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375415
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79364184
2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 94364000
3-methyl-4-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 55161131
1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 114109609
2-amino-2-methyl-N-(2-oxopiperidin-3-yl)propanamide
CID 62092380
3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
CID 103065148

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one (CID 79363726) is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one is CC(=O)c1c(C)nsc1NC1CCCNC1=O.
What is the InChIKey of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one?
The InChIKey is RGGCBSQSLRUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6-9(7(2)15)11(17-14-6)13-8-4-3-5-12-10(8)16/h8,13H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one?
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one has a molecular weight of 253.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 79363726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).