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

C11H11F3N4OS — CID 43022534

IUPAC4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)sc1C
InChIInChI=1S/C11H11F3N4OS/c1-3-6-4-7(20-5(6)2)8(19)15-10-16-9(17-18-10)11(12,13)14/h4H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJRKPNRHXMOOMSF-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.01
Rot. Bonds3

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

4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide (PubChem CID 43022534) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
PubChem CID43022534
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)sc1C
InChIInChI=1S/C11H11F3N4OS/c1-3-6-4-7(20-5(6)2)8(19)15-10-16-9(17-18-10)11(12,13)14/h4H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJRKPNRHXMOOMSF-UHFFFAOYSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide (CID 43022534) is 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide is CCc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The InChIKey is JRKPNRHXMOOMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-3-6-4-7(20-5(6)2)8(19)15-10-16-9(17-18-10)11(12,13)14/h4H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43022534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).