2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C15H13F3N2OS — CID 167066110

IUPAC2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCc1sc2c(c1C(=O)Nc1ccc(C(F)(F)F)nc1)CCC2
InChIInChI=1S/C15H13F3N2OS/c1-8-13(10-3-2-4-11(10)22-8)14(21)20-9-5-6-12(19-7-9)15(16,17)18/h5-7H,2-4H2,1H3,(H,20,21)
InChIKeyZJQLXZPNEOMSMH-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.21
Rot. Bonds2

About 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 167066110) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID167066110
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Name2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCc1sc2c(c1C(=O)Nc1ccc(C(F)(F)F)nc1)CCC2
InChIInChI=1S/C15H13F3N2OS/c1-8-13(10-3-2-4-11(10)22-8)14(21)20-9-5-6-12(19-7-9)15(16,17)18/h5-7H,2-4H2,1H3,(H,20,21)
InChIKeyZJQLXZPNEOMSMH-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 167066110) is 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is Cc1sc2c(c1C(=O)Nc1ccc(C(F)(F)F)nc1)CCC2.
What is the InChIKey of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is ZJQLXZPNEOMSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c1-8-13(10-3-2-4-11(10)22-8)14(21)20-9-5-6-12(19-7-9)15(16,17)18/h5-7H,2-4H2,1H3,(H,20,21).
What are the key properties of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 167066110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).