methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate

C19H13ClF2N2O3S — CID 24659325

IUPACmethyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c(F)cc1F
InChIInChI=1S/C19H13ClF2N2O3S/c1-27-19(26)13-7-16(15(22)8-14(13)21)24-17(25)6-12-9-28-18(23-12)10-2-4-11(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,24,25)
InChIKeyVAEZSKCIJIUUSW-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.71
Rot. Bonds5

About methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate

methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate (PubChem CID 24659325) has the molecular formula C19H13ClF2N2O3S and a molecular weight of 422.84 g/mol. Its IUPAC name is methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate
PubChem CID24659325
Molecular FormulaC19H13ClF2N2O3S
Molecular Weight422.84 g/mol
Exact Mass422.03
IUPAC Namemethyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c(F)cc1F
InChIInChI=1S/C19H13ClF2N2O3S/c1-27-19(26)13-7-16(15(22)8-14(13)21)24-17(25)6-12-9-28-18(23-12)10-2-4-11(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,24,25)
InChIKeyVAEZSKCIJIUUSW-UHFFFAOYSA-N
XLogP4.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate with MolForge

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Related Compounds

methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24659350
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
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
N-(2-fluoro-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31761357
N-(5-chloro-2-pyridinyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 34136046
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18225445
methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate
CID 55519829
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
N-(2,5-dichlorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701113
methyl 4-methyl-3-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 34143667

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate?
The IUPAC name of methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate (CID 24659325) is methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate.
What is the SMILES notation for methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate?
The canonical SMILES for methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate is COC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c(F)cc1F.
What is the InChIKey of methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate?
The InChIKey is VAEZSKCIJIUUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O3S/c1-27-19(26)13-7-16(15(22)8-14(13)21)24-17(25)6-12-9-28-18(23-12)10-2-4-11(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,24,25).
What are the key properties of methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate?
methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate has a molecular weight of 422.84 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate is sourced from PubChem (CID 24659325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).