5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C13H15N3O3S3 — CID 166242221

IUPAC5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)NCc3nccs3)cc2C1
InChIInChI=1S/C13H15N3O3S3/c1-9(17)16-4-2-11-10(8-16)6-13(21-11)22(18,19)15-7-12-14-3-5-20-12/h3,5-6,15H,2,4,7-8H2,1H3
InChIKeyKQCIVAOIDZHZRH-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.59
Rot. Bonds4

About 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 166242221) has the molecular formula C13H15N3O3S3 and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID166242221
Molecular FormulaC13H15N3O3S3
Molecular Weight357.48 g/mol
Exact Mass357.03
IUPAC Name5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)NCc3nccs3)cc2C1
InChIInChI=1S/C13H15N3O3S3/c1-9(17)16-4-2-11-10(8-16)6-13(21-11)22(18,19)15-7-12-14-3-5-20-12/h3,5-6,15H,2,4,7-8H2,1H3
InChIKeyKQCIVAOIDZHZRH-UHFFFAOYSA-N
XLogP1.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 166242221) is 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CC(=O)N1CCc2sc(S(=O)(=O)NCc3nccs3)cc2C1.
What is the InChIKey of 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is KQCIVAOIDZHZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S3/c1-9(17)16-4-2-11-10(8-16)6-13(21-11)22(18,19)15-7-12-14-3-5-20-12/h3,5-6,15H,2,4,7-8H2,1H3.
What are the key properties of 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 166242221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).