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

C17H11F3N2OS — CID 145388939

IUPAC2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(-c2ccccc2-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)11-7-5-10(6-8-11)12-3-1-2-4-13(12)16-22-9-14(24-16)15(21)23/h1-9H,(H2,21,23)
InChIKeyYJKHBEGKSAWLQT-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.59
Rot. Bonds3

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

2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 145388939) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID145388939
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(-c2ccccc2-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)11-7-5-10(6-8-11)12-3-1-2-4-13(12)16-22-9-14(24-16)15(21)23/h1-9H,(H2,21,23)
InChIKeyYJKHBEGKSAWLQT-UHFFFAOYSA-N
XLogP4.59
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanone
CID 17747369
N-[3-(azepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164613815
2-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 72187548
N-[(1S)-1-[4-[[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 118940323
N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 146047494
2-(4-methylphenyl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122190918
2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 164611021
N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164615283
2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 164619567
N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164622279
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 123793649
2-tert-butyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 47880802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide (CID 145388939) is 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(-c2ccccc2-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YJKHBEGKSAWLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c18-17(19,20)11-7-5-10(6-8-11)12-3-1-2-4-13(12)16-22-9-14(24-16)15(21)23/h1-9H,(H2,21,23).
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 145388939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).