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

C13H18N2O2S — CID 53014483

IUPAC5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)CCN(C(C)=O)C2
InChIInChI=1S/C13H18N2O2S/c1-3-5-14-13(17)12-7-10-8-15(9(2)16)6-4-11(10)18-12/h7H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyLAMHLDBSOZTGOG-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.79
Rot. Bonds3

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

5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53014483) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53014483
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)CCN(C(C)=O)C2
InChIInChI=1S/C13H18N2O2S/c1-3-5-14-13(17)12-7-10-8-15(9(2)16)6-4-11(10)18-12/h7H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyLAMHLDBSOZTGOG-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53014483) is 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CCCNC(=O)c1cc2c(s1)CCN(C(C)=O)C2.
What is the InChIKey of 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is LAMHLDBSOZTGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-5-14-13(17)12-7-10-8-15(9(2)16)6-4-11(10)18-12/h7H,3-6,8H2,1-2H3,(H,14,17).
What are the key properties of 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53014483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).