methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate

C24H16F2N2O3S — CID 30702610

IUPACmethyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c(F)cc1F
InChIInChI=1S/C24H16F2N2O3S/c1-31-24(30)16-12-19(18(26)13-17(16)25)27-22(29)21-20(14-8-4-2-5-9-14)28-23(32-21)15-10-6-3-7-11-15/h2-13H,1H3,(H,27,29)
InChIKeyXOXDTMRHEXNJCI-UHFFFAOYSA-N
MW450.47 g/mol
LogP5.79
Rot. Bonds5

About methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate

methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate (PubChem CID 30702610) has the molecular formula C24H16F2N2O3S and a molecular weight of 450.47 g/mol. Its IUPAC name is methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate
PubChem CID30702610
Molecular FormulaC24H16F2N2O3S
Molecular Weight450.47 g/mol
Exact Mass450.08
IUPAC Namemethyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c(F)cc1F
InChIInChI=1S/C24H16F2N2O3S/c1-31-24(30)16-12-19(18(26)13-17(16)25)27-22(29)21-20(14-8-4-2-5-9-14)28-23(32-21)15-10-6-3-7-11-15/h2-13H,1H3,(H,27,29)
InChIKeyXOXDTMRHEXNJCI-UHFFFAOYSA-N
XLogP5.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate
CID 46539881
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060
methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110650599
2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24503927
N-(2-fluoro-5-methylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27677610
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 30864538
methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate
CID 24659325
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate?
The IUPAC name of methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate (CID 30702610) is methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate.
What is the SMILES notation for methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate?
The canonical SMILES for methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate is COC(=O)c1cc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c(F)cc1F.
What is the InChIKey of methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate?
The InChIKey is XOXDTMRHEXNJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O3S/c1-31-24(30)16-12-19(18(26)13-17(16)25)27-22(29)21-20(14-8-4-2-5-9-14)28-23(32-21)15-10-6-3-7-11-15/h2-13H,1H3,(H,27,29).
What are the key properties of methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate?
methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate has a molecular weight of 450.47 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate is sourced from PubChem (CID 30702610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).