methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate

C20H16F2N2O3S — CID 24659350

IUPACmethyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c(F)cc1F
InChIInChI=1S/C20H16F2N2O3S/c1-11-3-5-12(6-4-11)19-23-13(10-28-19)7-18(25)24-17-8-14(20(26)27-2)15(21)9-16(17)22/h3-6,8-10H,7H2,1-2H3,(H,24,25)
InChIKeyVLRYBRULGBLAPK-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.36
Rot. Bonds5

About methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate

methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate (PubChem CID 24659350) has the molecular formula C20H16F2N2O3S and a molecular weight of 402.42 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
PubChem CID24659350
Molecular FormulaC20H16F2N2O3S
Molecular Weight402.42 g/mol
Exact Mass402.08
IUPAC Namemethyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c(F)cc1F
InChIInChI=1S/C20H16F2N2O3S/c1-11-3-5-12(6-4-11)19-23-13(10-28-19)7-18(25)24-17-8-14(20(26)27-2)15(21)9-16(17)22/h3-6,8-10H,7H2,1-2H3,(H,24,25)
InChIKeyVLRYBRULGBLAPK-UHFFFAOYSA-N
XLogP4.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate
CID 24659325
methyl 2,4-difluoro-5-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24666831
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
N-(2-fluoro-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31761357
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
N-(2-methoxy-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31759330
methyl 4-methyl-3-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 34143667
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate
CID 55519829
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24673631

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate (CID 24659350) is methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The InChIKey is VLRYBRULGBLAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3S/c1-11-3-5-12(6-4-11)19-23-13(10-28-19)7-18(25)24-17-8-14(20(26)27-2)15(21)9-16(17)22/h3-6,8-10H,7H2,1-2H3,(H,24,25).
What are the key properties of methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate has a molecular weight of 402.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 24659350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).