methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate

C20H14F2N2O5S — CID 24764556

IUPACmethyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1cccc(-c2sc(NC(=O)c3c(F)cccc3F)nc2C(=O)OC)c1
InChIInChI=1S/C20H14F2N2O5S/c1-28-18(26)11-6-3-5-10(9-11)16-15(19(27)29-2)23-20(30-16)24-17(25)14-12(21)7-4-8-13(14)22/h3-9H,1-2H3,(H,23,24,25)
InChIKeyWIDQGBWBLLCWNX-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.91
Rot. Bonds5

About methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate

methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 24764556) has the molecular formula C20H14F2N2O5S and a molecular weight of 432.40 g/mol. Its IUPAC name is methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID24764556
Molecular FormulaC20H14F2N2O5S
Molecular Weight432.40 g/mol
Exact Mass432.06
IUPAC Namemethyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1cccc(-c2sc(NC(=O)c3c(F)cccc3F)nc2C(=O)OC)c1
InChIInChI=1S/C20H14F2N2O5S/c1-28-18(26)11-6-3-5-10(9-11)16-15(19(27)29-2)23-20(30-16)24-17(25)14-12(21)7-4-8-13(14)22/h3-9H,1-2H3,(H,23,24,25)
InChIKeyWIDQGBWBLLCWNX-UHFFFAOYSA-N
XLogP3.91
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate 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 methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate (CID 24764556) is methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1cccc(-c2sc(NC(=O)c3c(F)cccc3F)nc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WIDQGBWBLLCWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O5S/c1-28-18(26)11-6-3-5-10(9-11)16-15(19(27)29-2)23-20(30-16)24-17(25)14-12(21)7-4-8-13(14)22/h3-9H,1-2H3,(H,23,24,25).
What are the key properties of methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 432.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-difluorobenzoyl)amino]-5-(3-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 24764556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).