4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide

C25H23ClIN9O4S2 — CID 173223389

About 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide

4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide (PubChem CID 173223389) has the molecular formula C25H23ClIN9O4S2 and a molecular weight of 740.01 g/mol. Its IUPAC name is 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide.

Molecular Properties

• Compound Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide
• PubChem CID: 173223389
• Molecular Formula: C25H23ClIN9O4S2
• Molecular Weight: 740.01 g/mol
• Exact Mass: 739.00
• IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide
• SMILES: Cc1cc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3C(=O)NCc3nn[nH]n3)sc2cn1.I
• InChI: InChI=1S/C25H22ClN9O4S2.HI/c1-14-8-19-21(11-27-14)40-24(29-19)25(37)35-7-6-34(13-20(35)23(36)28-12-22-30-32-33-31-22)41(38,39)18-5-3-15-9-17(26)4-2-16(15)10-18;/h2-5,8-11,20H,6-7,12-13H2,1H3,(H,28,36)(H,30,31,32,33);1H
• InChIKey: NFPBGXPYZPZLOU-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 167.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	740.01
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide?

The IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide (CID 173223389) is 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide.

What is the SMILES notation for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide?

The canonical SMILES for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide is Cc1cc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3C(=O)NCc3nn[nH]n3)sc2cn1.I.

What is the InChIKey of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide?

The InChIKey is NFPBGXPYZPZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN9O4S2.HI/c1-14-8-19-21(11-27-14)40-24(29-19)25(37)35-7-6-34(13-20(35)23(36)28-12-22-30-32-33-31-22)41(38,39)18-5-3-15-9-17(26)4-2-16(15)10-18;/h2-5,8-11,20H,6-7,12-13H2,1H3,(H,28,36)(H,30,31,32,33);1H.

What are the key properties of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide?

4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide has a molecular weight of 740.01 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-N-(2H-tetrazol-5-ylmethyl)piperazine-2-carboxamide;hydroiodide is sourced from PubChem (CID 173223389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).