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

C12H16N2O3S — CID 112734821

IUPAC(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(C)c(C(=O)N[C@@H](CC2CC2)C(=O)O)s1
InChIInChI=1S/C12H16N2O3S/c1-6-10(18-7(2)13-6)11(15)14-9(12(16)17)5-8-3-4-8/h8-9H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyAGWGSAHXHYBQOE-VIFPVBQESA-N
MW268.34 g/mol
LogP1.74
Rot. Bonds5

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

(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 112734821) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID112734821
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(C)c(C(=O)N[C@@H](CC2CC2)C(=O)O)s1
InChIInChI=1S/C12H16N2O3S/c1-6-10(18-7(2)13-6)11(15)14-9(12(16)17)5-8-3-4-8/h8-9H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyAGWGSAHXHYBQOE-VIFPVBQESA-N
XLogP1.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic 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 (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 112734821) is (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is Cc1nc(C)c(C(=O)N[C@@H](CC2CC2)C(=O)O)s1.
What is the InChIKey of (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is AGWGSAHXHYBQOE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-6-10(18-7(2)13-6)11(15)14-9(12(16)17)5-8-3-4-8/h8-9H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 268.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 112734821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).