N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C13H13F3N4OS — CID 154846287

IUPACN-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCC2)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C13H13F3N4OS/c1-6(10-18-12(20-19-10)13(14,15)16)17-11(21)9-5-7-3-2-4-8(7)22-9/h5-6H,2-4H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyRVIOUDQJZZGZRC-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.86
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 154846287) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID154846287
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC NameN-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCC2)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C13H13F3N4OS/c1-6(10-18-12(20-19-10)13(14,15)16)17-11(21)9-5-7-3-2-4-8(7)22-9/h5-6H,2-4H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyRVIOUDQJZZGZRC-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 154846287) is N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CC(NC(=O)c1cc2c(s1)CCC2)c1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is RVIOUDQJZZGZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS/c1-6(10-18-12(20-19-10)13(14,15)16)17-11(21)9-5-7-3-2-4-8(7)22-9/h5-6H,2-4H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 154846287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).