methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate

C19H15FN2O3S — CID 86847269

IUPACmethyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C19H15FN2O3S/c1-11-6-5-8-13(19(24)25-2)16(11)22-17(23)15-10-26-18(21-15)12-7-3-4-9-14(12)20/h3-10H,1-2H3,(H,22,23)
InChIKeyMBJOWJYXQYEMIE-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.30
Rot. Bonds4

About methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate

methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate (PubChem CID 86847269) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate
PubChem CID86847269
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Namemethyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C19H15FN2O3S/c1-11-6-5-8-13(19(24)25-2)16(11)22-17(23)15-10-26-18(21-15)12-7-3-4-9-14(12)20/h3-10H,1-2H3,(H,22,23)
InChIKeyMBJOWJYXQYEMIE-UHFFFAOYSA-N
XLogP4.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate 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 4-[(2-fluoro-6-methylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698307
2-(4-fluorophenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78865281
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287
methyl 2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 169498575
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 167959605
methyl 3-[(2-fluoro-3-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915416
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915398
ethyl 4-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697663

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate?
The IUPAC name of methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate (CID 86847269) is methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate.
What is the SMILES notation for methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate?
The canonical SMILES for methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate is COC(=O)c1cccc(C)c1NC(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate?
The InChIKey is MBJOWJYXQYEMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-11-6-5-8-13(19(24)25-2)16(11)22-17(23)15-10-26-18(21-15)12-7-3-4-9-14(12)20/h3-10H,1-2H3,(H,22,23).
What are the key properties of methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate?
methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate has a molecular weight of 370.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate is sourced from PubChem (CID 86847269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).