4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid

C11H15N3O4S — CID 3242285

IUPAC4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
SMILESCc1nc(NC(=O)CCC(=O)O)sc1C(=O)N(C)C
InChIInChI=1S/C11H15N3O4S/c1-6-9(10(18)14(2)3)19-11(12-6)13-7(15)4-5-8(16)17/h4-5H2,1-3H3,(H,16,17)(H,12,13,15)
InChIKeyGXQLXBOBSGOEMD-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.96
Rot. Bonds5

About 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid

4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid (PubChem CID 3242285) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
PubChem CID3242285
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
SMILESCc1nc(NC(=O)CCC(=O)O)sc1C(=O)N(C)C
InChIInChI=1S/C11H15N3O4S/c1-6-9(10(18)14(2)3)19-11(12-6)13-7(15)4-5-8(16)17/h4-5H2,1-3H3,(H,16,17)(H,12,13,15)
InChIKeyGXQLXBOBSGOEMD-UHFFFAOYSA-N
XLogP0.96
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid (CID 3242285) is 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid is Cc1nc(NC(=O)CCC(=O)O)sc1C(=O)N(C)C.
What is the InChIKey of 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is GXQLXBOBSGOEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6-9(10(18)14(2)3)19-11(12-6)13-7(15)4-5-8(16)17/h4-5H2,1-3H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 285.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 3242285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).