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

C18H13F3N2OS — CID 46460039

IUPAC2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)14-8-4-5-12(9-14)10-22-16(24)15-11-23-17(25-15)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,22,24)
InChIKeyLQMLKXPZWMNJKV-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.76
Rot. Bonds4

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

2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46460039) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID46460039
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)14-8-4-5-12(9-14)10-22-16(24)15-11-23-17(25-15)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,22,24)
InChIKeyLQMLKXPZWMNJKV-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 46460039) is 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LQMLKXPZWMNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-18(20,21)14-8-4-5-12(9-14)10-22-16(24)15-11-23-17(25-15)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,22,24).
What are the key properties of 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46460039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).