2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide

C10H9F3N4OS — CID 36580049

IUPAC2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c(C)s1
InChIInChI=1S/C10H9F3N4OS/c1-4-3-6(5(2)19-4)7(18)14-9-15-8(16-17-9)10(11,12)13/h3H,1-2H3,(H2,14,15,16,17,18)
InChIKeyYQWPVKMGILUTGS-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.75
Rot. Bonds2

About 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide

2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide (PubChem CID 36580049) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
PubChem CID36580049
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c(C)s1
InChIInChI=1S/C10H9F3N4OS/c1-4-3-6(5(2)19-4)7(18)14-9-15-8(16-17-9)10(11,12)13/h3H,1-2H3,(H2,14,15,16,17,18)
InChIKeyYQWPVKMGILUTGS-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide (CID 36580049) is 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide is Cc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide?
The InChIKey is YQWPVKMGILUTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-4-3-6(5(2)19-4)7(18)14-9-15-8(16-17-9)10(11,12)13/h3H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide?
2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide has a molecular weight of 290.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 36580049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).