N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

C21H27N3O3S2 — CID 139003731

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (PubChem CID 139003731) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
• PubChem CID: 139003731
• Molecular Formula: C21H27N3O3S2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
• SMILES: Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCC(C)N1CCc2sccc2C1
• InChI: InChI=1S/C21H27N3O3S2/c1-15-12-18(24-8-3-11-29(24,26)27)4-5-19(15)21(25)22-13-16(2)23-9-6-20-17(14-23)7-10-28-20/h4-5,7,10,12,16H,3,6,8-9,11,13-14H2,1-2H3,(H,22,25)
• InChIKey: TXOJFYJAIXFDEB-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?

The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (CID 139003731) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.

What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?

The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCC(C)N1CCc2sccc2C1.

What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?

The InChIKey is TXOJFYJAIXFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c1-15-12-18(24-8-3-11-29(24,26)27)4-5-19(15)21(25)22-13-16(2)23-9-6-20-17(14-23)7-10-28-20/h4-5,7,10,12,16H,3,6,8-9,11,13-14H2,1-2H3,(H,22,25).

What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide has a molecular weight of 433.60 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 139003731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).