2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid

C12H19N3O3S — CID 65223400

IUPAC2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Nc1nc(C)c(C)s1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-5-9(10(16)17)6-13-11(18)15-12-14-7(2)8(3)19-12/h9H,4-6H2,1-3H3,(H,16,17)(H2,13,14,15,18)
InChIKeyWRLLQFRUJGGNBA-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.38
Rot. Bonds6

About 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid

2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid (PubChem CID 65223400) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid
PubChem CID65223400
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Nc1nc(C)c(C)s1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-5-9(10(16)17)6-13-11(18)15-12-14-7(2)8(3)19-12/h9H,4-6H2,1-3H3,(H,16,17)(H2,13,14,15,18)
InChIKeyWRLLQFRUJGGNBA-UHFFFAOYSA-N
XLogP2.38
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic 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-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid (CID 65223400) is 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)Nc1nc(C)c(C)s1)C(=O)O.
What is the InChIKey of 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is WRLLQFRUJGGNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-5-9(10(16)17)6-13-11(18)15-12-14-7(2)8(3)19-12/h9H,4-6H2,1-3H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid?
2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65223400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).