2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide

C18H13F3N2OS — CID 55794522

IUPAC2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)15(12-7-3-1-4-8-12)23-16(24)14-11-22-17(25-14)13-9-5-2-6-10-13/h1-11,15H,(H,23,24)
InChIKeyLZQSJYWWAOCTIW-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.84
Rot. Bonds4

About 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide

2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 55794522) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID55794522
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)15(12-7-3-1-4-8-12)23-16(24)14-11-22-17(25-14)13-9-5-2-6-10-13/h1-11,15H,(H,23,24)
InChIKeyLZQSJYWWAOCTIW-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide (CID 55794522) is 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide is O=C(NC(c1ccccc1)C(F)(F)F)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LZQSJYWWAOCTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-18(20,21)15(12-7-3-1-4-8-12)23-16(24)14-11-22-17(25-14)13-9-5-2-6-10-13/h1-11,15H,(H,23,24).
What are the key properties of 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide?
2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55794522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).