6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C15H15N3O3S2 — CID 5195125

IUPAC6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1
InChIInChI=1S/C15H15N3O3S2/c1-8(19)18-5-4-9-11(7-18)23-15(12(9)13(16)20)17-14(21)10-3-2-6-22-10/h2-3,6H,4-5,7H2,1H3,(H2,16,20)(H,17,21)
InChIKeyRINXIYJYKQNBAA-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.07
Rot. Bonds3

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

6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5195125) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID5195125
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1
InChIInChI=1S/C15H15N3O3S2/c1-8(19)18-5-4-9-11(7-18)23-15(12(9)13(16)20)17-14(21)10-3-2-6-22-10/h2-3,6H,4-5,7H2,1H3,(H2,16,20)(H,17,21)
InChIKeyRINXIYJYKQNBAA-UHFFFAOYSA-N
XLogP2.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 5195125) is 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is RINXIYJYKQNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-8(19)18-5-4-9-11(7-18)23-15(12(9)13(16)20)17-14(21)10-3-2-6-22-10/h2-3,6H,4-5,7H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5195125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).