N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide

C17H11F3N2OS — CID 3591891

IUPACN-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)13-8-4-7-12(9-13)15(23)22-16-21-10-14(24-16)11-5-2-1-3-6-11/h1-10H,(H,21,22,23)
InChIKeyLWUZVRWWGXYZET-UHFFFAOYSA-N
MW348.35 g/mol
LogP5.08
Rot. Bonds3

About N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide

N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 3591891) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID3591891
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC NameN-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)13-8-4-7-12(9-13)15(23)22-16-21-10-14(24-16)11-5-2-1-3-6-11/h1-10H,(H,21,22,23)
InChIKeyLWUZVRWWGXYZET-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-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 3591891) is N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1ncc(-c2ccccc2)s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is LWUZVRWWGXYZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c18-17(19,20)13-8-4-7-12(9-13)15(23)22-16-21-10-14(24-16)11-5-2-1-3-6-11/h1-10H,(H,21,22,23).
What are the key properties of N-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(5-phenyl-1,3-thiazol-2-yl)-3-(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-(5-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3591891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).