2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide

C24H23ClN10O4S2 — CID 22710026

About 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide

2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 22710026) has the molecular formula C24H23ClN10O4S2 and a molecular weight of 615.10 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
• PubChem CID: 22710026
• Molecular Formula: C24H23ClN10O4S2
• Molecular Weight: 615.10 g/mol
• Exact Mass: 614.10
• IUPAC Name: 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
• SMILES: Cc1cc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CC(=O)NCc3nn[nH]n3)sc2cn1
• InChI: InChI=1S/C24H23ClN10O4S2/c1-13-6-18-19(10-26-13)40-23(29-18)24(37)35-5-4-34(12-16(35)9-21(36)27-11-20-30-32-33-31-20)41(38,39)22-8-14-7-15(25)2-3-17(14)28-22/h2-3,6-8,10,16,28H,4-5,9,11-12H2,1H3,(H,27,36)(H,30,31,32,33)
• InChIKey: SVAKXTFTFYGCBS-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 182.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.10
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?

The IUPAC name of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 22710026) is 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide.

What is the SMILES notation for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?

The canonical SMILES for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide is Cc1cc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CC(=O)NCc3nn[nH]n3)sc2cn1.

What is the InChIKey of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?

The InChIKey is SVAKXTFTFYGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN10O4S2/c1-13-6-18-19(10-26-13)40-23(29-18)24(37)35-5-4-34(12-16(35)9-21(36)27-11-20-30-32-33-31-20)41(38,39)22-8-14-7-15(25)2-3-17(14)28-22/h2-3,6-8,10,16,28H,4-5,9,11-12H2,1H3,(H,27,36)(H,30,31,32,33).

What are the key properties of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?

2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 615.10 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 22710026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).