4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid

C14H15N3O3S — CID 63630189

IUPAC4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1NC(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C14H15N3O3S/c1-8-5-3-4-6-10(8)17-14(20)15-7-11-16-9(2)12(21-11)13(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyWPAGLGGFVJCBGO-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.78
Rot. Bonds4

About 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63630189) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63630189
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1NC(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C14H15N3O3S/c1-8-5-3-4-6-10(8)17-14(20)15-7-11-16-9(2)12(21-11)13(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyWPAGLGGFVJCBGO-UHFFFAOYSA-N
XLogP2.78
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic 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-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid (CID 63630189) is 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1ccccc1NC(=O)NCc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is WPAGLGGFVJCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-5-3-4-6-10(8)17-14(20)15-7-11-16-9(2)12(21-11)13(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H2,15,17,20).
What are the key properties of 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63630189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).