N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C12H18N2OS — CID 115618572

IUPACN,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCN(CC)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H18N2OS/c1-3-13(4-2)12(15)14-7-5-11-10(9-14)6-8-16-11/h6,8H,3-5,7,9H2,1-2H3
InChIKeyBIHJSPPKSDJZIA-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.57
Rot. Bonds2

About N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 115618572) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID115618572
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCN(CC)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H18N2OS/c1-3-13(4-2)12(15)14-7-5-11-10(9-14)6-8-16-11/h6,8H,3-5,7,9H2,1-2H3
InChIKeyBIHJSPPKSDJZIA-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-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 N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 115618572) is N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCN(CC)C(=O)N1CCc2sccc2C1.
What is the InChIKey of N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is BIHJSPPKSDJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-13(4-2)12(15)14-7-5-11-10(9-14)6-8-16-11/h6,8H,3-5,7,9H2,1-2H3.
What are the key properties of N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 115618572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).