2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C18H12Cl2FN3O2S — CID 46114059

IUPAC2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H12Cl2FN3O2S/c19-11-3-6-13(14(20)7-11)16(25)24-18-23-15(9-27-18)17(26)22-8-10-1-4-12(21)5-2-10/h1-7,9H,8H2,(H,22,26)(H,23,24,25)
InChIKeyGUAIXYXVCPELHM-UHFFFAOYSA-N
MW424.28 g/mol
LogP4.77
Rot. Bonds5

About 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46114059) has the molecular formula C18H12Cl2FN3O2S and a molecular weight of 424.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46114059
Molecular FormulaC18H12Cl2FN3O2S
Molecular Weight424.28 g/mol
Exact Mass423.00
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H12Cl2FN3O2S/c19-11-3-6-13(14(20)7-11)16(25)24-18-23-15(9-27-18)17(26)22-8-10-1-4-12(21)5-2-10/h1-7,9H,8H2,(H,22,26)(H,23,24,25)
InChIKeyGUAIXYXVCPELHM-UHFFFAOYSA-N
XLogP4.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114064
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
2-chloro-4-fluoro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046628
N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3983544
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726565
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2,4-dichloro-N-[1-[(4-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 42987197
2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46114112
4-chloro-2-fluoro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046723
2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16948876

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 46114059) is 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GUAIXYXVCPELHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O2S/c19-11-3-6-13(14(20)7-11)16(25)24-18-23-15(9-27-18)17(26)22-8-10-1-4-12(21)5-2-10/h1-7,9H,8H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 424.28 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46114059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).