N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

C18H13ClF3N3O2S — CID 16955216

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H13ClF3N3O2S/c19-14-4-2-1-3-11(14)9-23-16(26)15-10-28-17(25-15)24-12-5-7-13(8-6-12)27-18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25)
InChIKeyKFVAWQWWDUVSOI-UHFFFAOYSA-N
MW427.84 g/mol
LogP5.37
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (PubChem CID 16955216) has the molecular formula C18H13ClF3N3O2S and a molecular weight of 427.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
PubChem CID16955216
Molecular FormulaC18H13ClF3N3O2S
Molecular Weight427.84 g/mol
Exact Mass427.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H13ClF3N3O2S/c19-14-4-2-1-3-11(14)9-23-16(26)15-10-28-17(25-15)24-12-5-7-13(8-6-12)27-18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25)
InChIKeyKFVAWQWWDUVSOI-UHFFFAOYSA-N
XLogP5.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.84
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955220
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 40981814
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955322
2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 90510136
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955295
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
N-(4-bromo-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955294
dimethyl 2-[[2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 16955297

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (CID 16955216) is N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1Cl)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The InChIKey is KFVAWQWWDUVSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2S/c19-14-4-2-1-3-11(14)9-23-16(26)15-10-28-17(25-15)24-12-5-7-13(8-6-12)27-18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide has a molecular weight of 427.84 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).