1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide

C16H14F3N5OS — CID 146089612

IUPAC1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide
SMILESCCC(NC(=O)c1cn(-c2ccccc2)nn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C16H14F3N5OS/c1-2-11(15-21-13(9-26-15)16(17,18)19)20-14(25)12-8-24(23-22-12)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,20,25)
InChIKeyJOKHAJCCJSLYCD-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.62
Rot. Bonds5

About 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide

1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide (PubChem CID 146089612) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide
PubChem CID146089612
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Name1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide
SMILESCCC(NC(=O)c1cn(-c2ccccc2)nn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C16H14F3N5OS/c1-2-11(15-21-13(9-26-15)16(17,18)19)20-14(25)12-8-24(23-22-12)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,20,25)
InChIKeyJOKHAJCCJSLYCD-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
CID 95906724
2-hydroxy-2-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 111540942
4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 99783883
1,3-dimethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 95906693
N-[(2S)-1-hydroxybutan-2-yl]-1-phenyltriazole-4-carboxamide
CID 104981237
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide
CID 120637734
1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 95906713
5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide
CID 146090228
3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid
CID 43360787
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
CID 71985953
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide (CID 146089612) is 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide is CCC(NC(=O)c1cn(-c2ccccc2)nn1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide?
The InChIKey is JOKHAJCCJSLYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c1-2-11(15-21-13(9-26-15)16(17,18)19)20-14(25)12-8-24(23-22-12)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,20,25).
What are the key properties of 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide?
1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]triazole-4-carboxamide is sourced from PubChem (CID 146089612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).