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

C13H11ClN2O3S — CID 110696223

IUPACmethyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2nc(C)cs2)c1
InChIInChI=1S/C13H11ClN2O3S/c1-7-6-20-12(15-7)11(17)16-10-5-8(13(18)19-2)3-4-9(10)14/h3-6H,1-2H3,(H,16,17)
InChIKeyARMCKLRILBFVQP-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.14
Rot. Bonds3

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

methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate (PubChem CID 110696223) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
PubChem CID110696223
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Namemethyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2nc(C)cs2)c1
InChIInChI=1S/C13H11ClN2O3S/c1-7-6-20-12(15-7)11(17)16-10-5-8(13(18)19-2)3-4-9(10)14/h3-6H,1-2H3,(H,16,17)
InChIKeyARMCKLRILBFVQP-UHFFFAOYSA-N
XLogP3.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-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

methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-chlorobenzoate
CID 62794444
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696195
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704696
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 55445792
methyl 4-chloro-3-[(4-methylpyrimidine-5-carbonyl)amino]benzoate
CID 110861800
methyl 4-chloro-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 110698334
methyl 3-[[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109321323
methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207244

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate (CID 110696223) is methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2nc(C)cs2)c1.
What is the InChIKey of methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate?
The InChIKey is ARMCKLRILBFVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-7-6-20-12(15-7)11(17)16-10-5-8(13(18)19-2)3-4-9(10)14/h3-6H,1-2H3,(H,16,17).
What are the key properties of methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate?
methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate has a molecular weight of 310.76 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110696223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).