4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C11H13F3N2OS — CID 47252631

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2OS/c1-7-8-3-5-18-9(8)2-4-16(7)10(17)15-6-11(12,13)14/h3,5,7H,2,4,6H2,1H3,(H,15,17)
InChIKeyJMQRHQHOSNFTIF-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.94
Rot. Bonds1

About 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 47252631) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID47252631
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2OS/c1-7-8-3-5-18-9(8)2-4-16(7)10(17)15-6-11(12,13)14/h3,5,7H,2,4,6H2,1H3,(H,15,17)
InChIKeyJMQRHQHOSNFTIF-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-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 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 47252631) is 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC1c2ccsc2CCN1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is JMQRHQHOSNFTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-7-8-3-5-18-9(8)2-4-16(7)10(17)15-6-11(12,13)14/h3,5,7H,2,4,6H2,1H3,(H,15,17).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 47252631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).