3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide

C10H11F3N2OS — CID 175875896

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide
SMILESCc1c(C(=O)NCC(F)(F)F)sc2c1CNC2
InChIInChI=1S/C10H11F3N2OS/c1-5-6-2-14-3-7(6)17-8(5)9(16)15-4-10(11,12)13/h14H,2-4H2,1H3,(H,15,16)
InChIKeyMARYJWRKVIHCOI-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.95
Rot. Bonds2

About 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide

3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 175875896) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide
PubChem CID175875896
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide
SMILESCc1c(C(=O)NCC(F)(F)F)sc2c1CNC2
InChIInChI=1S/C10H11F3N2OS/c1-5-6-2-14-3-7(6)17-8(5)9(16)15-4-10(11,12)13/h14H,2-4H2,1H3,(H,15,16)
InChIKeyMARYJWRKVIHCOI-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide (CID 175875896) is 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide is Cc1c(C(=O)NCC(F)(F)F)sc2c1CNC2.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is MARYJWRKVIHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-5-6-2-14-3-7(6)17-8(5)9(16)15-4-10(11,12)13/h14H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide?
3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 264.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 175875896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).