2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C20H17F2N3O2S — CID 23549123

IUPAC2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(NC(=O)c3cc(F)ccc3F)nc2C)c(C)c1
InChIInChI=1S/C20H17F2N3O2S/c1-10-4-7-16(11(2)8-10)24-19(27)17-12(3)23-20(28-17)25-18(26)14-9-13(21)5-6-15(14)22/h4-9H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyLVFBXDGXUSPIJB-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.85
Rot. Bonds4

About 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 23549123) has the molecular formula C20H17F2N3O2S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID23549123
Molecular FormulaC20H17F2N3O2S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(NC(=O)c3cc(F)ccc3F)nc2C)c(C)c1
InChIInChI=1S/C20H17F2N3O2S/c1-10-4-7-16(11(2)8-10)24-19(27)17-12(3)23-20(28-17)25-18(26)14-9-13(21)5-6-15(14)22/h4-9H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyLVFBXDGXUSPIJB-UHFFFAOYSA-N
XLogP4.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
CID 17391508
N-(2,4-dimethylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107020951
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845444
2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
CID 107021333
2-[(4-fluorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897753
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 23549123) is 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(NC(=O)c3cc(F)ccc3F)nc2C)c(C)c1.
What is the InChIKey of 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LVFBXDGXUSPIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2S/c1-10-4-7-16(11(2)8-10)24-19(27)17-12(3)23-20(28-17)25-18(26)14-9-13(21)5-6-15(14)22/h4-9H,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23549123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).