2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

C21H20ClN3O3S2 — CID 50832384

About 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 50832384) has the molecular formula C21H20ClN3O3S2 and a molecular weight of 462.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
• PubChem CID: 50832384
• Molecular Formula: C21H20ClN3O3S2
• Molecular Weight: 462.00 g/mol
• Exact Mass: 461.06
• IUPAC Name: 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4ccc(Cl)cc4)sc3C2)cc1
• InChI: InChI=1S/C21H20ClN3O3S2/c1-14-2-8-17(9-3-14)30(27,28)25-11-10-18-19(13-25)29-21(23-18)24-20(26)12-15-4-6-16(22)7-5-15/h2-9H,10-13H2,1H3,(H,23,24,26)
• InChIKey: KIEQGIHTYLJLOC-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.00
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 50832384) is 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4ccc(Cl)cc4)sc3C2)cc1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?

The InChIKey is KIEQGIHTYLJLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S2/c1-14-2-8-17(9-3-14)30(27,28)25-11-10-18-19(13-25)29-21(23-18)24-20(26)12-15-4-6-16(22)7-5-15/h2-9H,10-13H2,1H3,(H,23,24,26).

What are the key properties of 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?

2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 462.00 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 50832384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).