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

C14H14N2OS3 — CID 2806357

IUPACN-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide
SMILESCC1c2ccsc2CCN1C(=S)NC(=O)c1cccs1
InChIInChI=1S/C14H14N2OS3/c1-9-10-5-8-20-11(10)4-6-16(9)14(18)15-13(17)12-3-2-7-19-12/h2-3,5,7-9H,4,6H2,1H3,(H,15,17,18)
InChIKeyVVIYKVKMKBYATL-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.44
Rot. Bonds1

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

N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide (PubChem CID 2806357) has the molecular formula C14H14N2OS3 and a molecular weight of 322.48 g/mol. Its IUPAC name is N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide
PubChem CID2806357
Molecular FormulaC14H14N2OS3
Molecular Weight322.48 g/mol
Exact Mass322.03
IUPAC NameN-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide
SMILESCC1c2ccsc2CCN1C(=S)NC(=O)c1cccs1
InChIInChI=1S/C14H14N2OS3/c1-9-10-5-8-20-11(10)4-6-16(9)14(18)15-13(17)12-3-2-7-19-12/h2-3,5,7-9H,4,6H2,1H3,(H,15,17,18)
InChIKeyVVIYKVKMKBYATL-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide (CID 2806357) is N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide is CC1c2ccsc2CCN1C(=S)NC(=O)c1cccs1.
What is the InChIKey of N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide?
The InChIKey is VVIYKVKMKBYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS3/c1-9-10-5-8-20-11(10)4-6-16(9)14(18)15-13(17)12-3-2-7-19-12/h2-3,5,7-9H,4,6H2,1H3,(H,15,17,18).
What are the key properties of N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide?
N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 2806357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).