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

C20H14F3N5OS — CID 112819481

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1csc(N(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c2ccccc2)n1
InChIInChI=1S/C20H14F3N5OS/c1-13-12-30-19(24-13)28(14-7-3-2-4-8-14)18(29)16-11-27(26-25-16)17-10-6-5-9-15(17)20(21,22)23/h2-12H,1H3
InChIKeyURWAUTMKBNASPV-UHFFFAOYSA-N
MW429.43 g/mol
LogP5.03
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 112819481) has the molecular formula C20H14F3N5OS and a molecular weight of 429.43 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID112819481
Molecular FormulaC20H14F3N5OS
Molecular Weight429.43 g/mol
Exact Mass429.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1csc(N(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c2ccccc2)n1
InChIInChI=1S/C20H14F3N5OS/c1-13-12-30-19(24-13)28(14-7-3-2-4-8-14)18(29)16-11-27(26-25-16)17-10-6-5-9-15(17)20(21,22)23/h2-12H,1H3
InChIKeyURWAUTMKBNASPV-UHFFFAOYSA-N
XLogP5.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
N-[3-(N-methylanilino)propyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46438173
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
CID 75415495
N-benzyl-N-cyclopropyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46547209
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide
CID 52895835
N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 43062908
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide
CID 43032454
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7917606
2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
CID 99807622
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119575873
(2S)-2-benzylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 51958198

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 112819481) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is Cc1csc(N(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is URWAUTMKBNASPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5OS/c1-13-12-30-19(24-13)28(14-7-3-2-4-8-14)18(29)16-11-27(26-25-16)17-10-6-5-9-15(17)20(21,22)23/h2-12H,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 112819481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).