N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C18H11Cl2F3N2OS — CID 3640075

IUPACN-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H11Cl2F3N2OS/c19-12-6-13(20)8-14(7-12)24-17(26)15-9-27-16(25-15)5-10-2-1-3-11(4-10)18(21,22)23/h1-4,6-9H,5H2,(H,24,26)
InChIKeyZDKMWXPTHAJJLV-UHFFFAOYSA-N
MW431.27 g/mol
LogP6.31
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 3640075) has the molecular formula C18H11Cl2F3N2OS and a molecular weight of 431.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID3640075
Molecular FormulaC18H11Cl2F3N2OS
Molecular Weight431.27 g/mol
Exact Mass429.99
IUPAC NameN-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H11Cl2F3N2OS/c19-12-6-13(20)8-14(7-12)24-17(26)15-9-27-16(25-15)5-10-2-1-3-11(4-10)18(21,22)23/h1-4,6-9H,5H2,(H,24,26)
InChIKeyZDKMWXPTHAJJLV-UHFFFAOYSA-N
XLogP6.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.27
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 3640075) is N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZDKMWXPTHAJJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N2OS/c19-12-6-13(20)8-14(7-12)24-17(26)15-9-27-16(25-15)5-10-2-1-3-11(4-10)18(21,22)23/h1-4,6-9H,5H2,(H,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 431.27 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3640075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).