3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C18H17N3O3S3 — CID 39268474

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 39268474) has the molecular formula C18H17N3O3S3 and a molecular weight of 419.55 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 39268474
• Molecular Formula: C18H17N3O3S3
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.04
• IUPAC Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
• SMILES: Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)n1
• InChI: InChI=1S/C18H17N3O3S3/c1-12-11-26-18(19-12)20-17(22)13-3-2-4-15(9-13)27(23,24)21-7-5-16-14(10-21)6-8-25-16/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,19,20,22)
• InChIKey: ZAFIXCRMQSUDHY-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 39268474) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)n1.

What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is ZAFIXCRMQSUDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S3/c1-12-11-26-18(19-12)20-17(22)13-3-2-4-15(9-13)27(23,24)21-7-5-16-14(10-21)6-8-25-16/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,19,20,22).

What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 419.55 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 39268474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).