N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

C17H11F3N2OS — CID 2557471

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)13-8-6-12(7-9-13)15(23)22-16-21-14(10-24-16)11-4-2-1-3-5-11/h1-10H,(H,21,22,23)
InChIKeyPBMJBQUDWQTBPF-UHFFFAOYSA-N
MW348.35 g/mol
LogP5.08
Rot. Bonds3

About N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 2557471) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID2557471
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)13-8-6-12(7-9-13)15(23)22-16-21-14(10-24-16)11-4-2-1-3-5-11/h1-10H,(H,21,22,23)
InChIKeyPBMJBQUDWQTBPF-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.35
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 2557471) is N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PBMJBQUDWQTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c18-17(19,20)13-8-6-12(7-9-13)15(23)22-16-21-14(10-24-16)11-4-2-1-3-5-11/h1-10H,(H,21,22,23).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 348.35 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2557471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).