2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid

C12H18N2O3S — CID 43240031

IUPAC2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1sc(C)nc1C)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-5-6(2)9(12(16)17)14-11(15)10-7(3)13-8(4)18-10/h6,9H,5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyVCAJRRWBUFNICO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.99
Rot. Bonds5

About 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 43240031) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
PubChem CID43240031
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1sc(C)nc1C)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-5-6(2)9(12(16)17)14-11(15)10-7(3)13-8(4)18-10/h6,9H,5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyVCAJRRWBUFNICO-UHFFFAOYSA-N
XLogP1.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic 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 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid (CID 43240031) is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1sc(C)nc1C)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is VCAJRRWBUFNICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-5-6(2)9(12(16)17)14-11(15)10-7(3)13-8(4)18-10/h6,9H,5H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid?
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 43240031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).