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

C12H17N3O2S — CID 113406465

IUPAC2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCC(=O)c1c(C)nsc1NCC(=O)N1CCCC1
InChIInChI=1S/C12H17N3O2S/c1-8-11(9(2)16)12(18-14-8)13-7-10(17)15-5-3-4-6-15/h13H,3-7H2,1-2H3
InChIKeyXONVBKVFGPAZBI-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.69
Rot. Bonds4

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

2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 113406465) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID113406465
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCC(=O)c1c(C)nsc1NCC(=O)N1CCCC1
InChIInChI=1S/C12H17N3O2S/c1-8-11(9(2)16)12(18-14-8)13-7-10(17)15-5-3-4-6-15/h13H,3-7H2,1-2H3
InChIKeyXONVBKVFGPAZBI-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103365033
1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727
1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375150
1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375482
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036
1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363573
1-[5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363953
2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115577665
ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 79371431
1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944
1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363875
1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363429

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone (CID 113406465) is 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone is CC(=O)c1c(C)nsc1NCC(=O)N1CCCC1.
What is the InChIKey of 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is XONVBKVFGPAZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-11(9(2)16)12(18-14-8)13-7-10(17)15-5-3-4-6-15/h13H,3-7H2,1-2H3.
What are the key properties of 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 113406465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).