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

C8H5F3N4OS — CID 36579970

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccsc1
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-1-2-17-3-4/h1-3H,(H2,12,13,14,15,16)
InChIKeyGMJMLENOUXBFIA-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.14
Rot. Bonds2

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

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide (PubChem CID 36579970) has the molecular formula C8H5F3N4OS and a molecular weight of 262.22 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
PubChem CID36579970
Molecular FormulaC8H5F3N4OS
Molecular Weight262.22 g/mol
Exact Mass262.01
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccsc1
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-1-2-17-3-4/h1-3H,(H2,12,13,14,15,16)
InChIKeyGMJMLENOUXBFIA-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide (CID 36579970) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccsc1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide?
The InChIKey is GMJMLENOUXBFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-1-2-17-3-4/h1-3H,(H2,12,13,14,15,16).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 36579970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).