methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate

C13H13N3O3S — CID 660228

IUPACmethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C13H13N3O3S/c1-7-10(20-13(14)15-7)11(17)16-9-6-4-3-5-8(9)12(18)19-2/h3-6H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyZGSMAHSEHABJOO-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate

methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate (PubChem CID 660228) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
PubChem CID660228
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C13H13N3O3S/c1-7-10(20-13(14)15-7)11(17)16-9-6-4-3-5-8(9)12(18)19-2/h3-6H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyZGSMAHSEHABJOO-UHFFFAOYSA-N
XLogP2.07
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Methyl 2-{[(2-chloro-4-methyl-1,3-thiazol-5-yl)carbonyl]amino}benzoate
CID 850740
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
Ethyl 2-acetamido-4-phenylthiazole-5-carboxylate
CID 3941062
Ethyl 4-phenyl-2-(phenylamino)thiazole-5-carboxylate
CID 10853437
Methyl 4-[[2-acetamido-4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-5-yl]methyl]benzoate;hydrochloride
CID 21915303
Ethyl 2-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl}amino)benzoate
CID 23850430
benzyl N-{4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl}carbamate
CID 21137645
4-Methyl-2-[3-(4-methyl-benzoyl)-thioureido]-thiazole-5-carboxylic acid methyl ester
CID 739040
Methyl 4-methyl-2-({[(2-methylbenzoyl)amino]carbonothioyl}amino)-1,3-thiazole-5-carboxylate
CID 801958
Methyl 4-methyl-2-({[(3-methylbenzoyl)amino]carbothioyl}amino)-1,3-thiazole-5-carboxylate
CID 1227624
Methyl 2-({[(2-fluorobenzoyl)amino]carbonothioyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 1336265

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate (CID 660228) is methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1sc(N)nc1C.
What is the InChIKey of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The InChIKey is ZGSMAHSEHABJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-7-10(20-13(14)15-7)11(17)16-9-6-4-3-5-8(9)12(18)19-2/h3-6H,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate?
methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate has a molecular weight of 291.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 660228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).