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

C17H14N2O3S2 — CID 9047543

IUPACmethyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C17H14N2O3S2/c1-10-5-6-11(17(21)22-2)8-12(10)18-15(20)13-9-24-16(19-13)14-4-3-7-23-14/h3-9H,1-2H3,(H,18,20)
InChIKeyCARUIMJLSVPQRH-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.22
Rot. Bonds4

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

methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate (PubChem CID 9047543) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
PubChem CID9047543
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Namemethyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C17H14N2O3S2/c1-10-5-6-11(17(21)22-2)8-12(10)18-15(20)13-9-24-16(19-13)14-4-3-7-23-14/h3-9H,1-2H3,(H,18,20)
InChIKeyCARUIMJLSVPQRH-UHFFFAOYSA-N
XLogP4.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
N-(3-acetamido-4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 33311200
N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142324
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24514747
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
N-[2-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55887676

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate (CID 9047543) is methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2csc(-c3cccs3)n2)c1.
What is the InChIKey of methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate?
The InChIKey is CARUIMJLSVPQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c1-10-5-6-11(17(21)22-2)8-12(10)18-15(20)13-9-24-16(19-13)14-4-3-7-23-14/h3-9H,1-2H3,(H,18,20).
What are the key properties of methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate?
methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate has a molecular weight of 358.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 9047543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).