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

C20H16F2N2O5S — CID 55520028

IUPACmethyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H16F2N2O5S/c1-27-15-8-12(19(26)28-2)13(9-16(15)29-20(21)22)23-17(25)14-10-30-18(24-14)11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H,23,25)
InChIKeyAOVNYNXLPXSIRI-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.46
Rot. Bonds7

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

methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate (PubChem CID 55520028) has the molecular formula C20H16F2N2O5S and a molecular weight of 434.42 g/mol. Its IUPAC name is methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
PubChem CID55520028
Molecular FormulaC20H16F2N2O5S
Molecular Weight434.42 g/mol
Exact Mass434.07
IUPAC Namemethyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H16F2N2O5S/c1-27-15-8-12(19(26)28-2)13(9-16(15)29-20(21)22)23-17(25)14-10-30-18(24-14)11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H,23,25)
InChIKeyAOVNYNXLPXSIRI-UHFFFAOYSA-N
XLogP4.46
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate
CID 55519829
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
CID 55518993
methyl 4-(difluoromethoxy)-5-methoxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 55519315
methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519622
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36862622
methyl 4,5-dimethoxy-2-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 17248499
4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 67343096
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate (CID 55520028) is methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate is COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The InChIKey is AOVNYNXLPXSIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O5S/c1-27-15-8-12(19(26)28-2)13(9-16(15)29-20(21)22)23-17(25)14-10-30-18(24-14)11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H,23,25).
What are the key properties of methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate has a molecular weight of 434.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 55520028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).