4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride

C26H31Cl2N5O5S2 — CID 22710501

About 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride

4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride (PubChem CID 22710501) has the molecular formula C26H31Cl2N5O5S2 and a molecular weight of 628.60 g/mol. Its IUPAC name is 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride
• PubChem CID: 22710501
• Molecular Formula: C26H31Cl2N5O5S2
• Molecular Weight: 628.60 g/mol
• Exact Mass: 627.11
• IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride
• SMILES: COCCNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CNC(C)C2.Cl
• InChI: InChI=1S/C26H30ClN5O5S2.ClH/c1-16-11-21-23(14-29-16)38-25(30-21)26(34)32-9-8-31(15-22(32)24(33)28-7-10-37-2)39(35,36)20-6-4-17-12-19(27)5-3-18(17)13-20;/h3-6,12-13,16,22,29H,7-11,14-15H2,1-2H3,(H,28,33);1H
• InChIKey: IPJHAXTYVLUNEO-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 120.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.60
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride?

The IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride (CID 22710501) is 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride.

What is the SMILES notation for 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride?

The canonical SMILES for 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride is COCCNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CNC(C)C2.Cl.

What is the InChIKey of 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride?

The InChIKey is IPJHAXTYVLUNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O5S2.ClH/c1-16-11-21-23(14-29-16)38-25(30-21)26(34)32-9-8-31(15-22(32)24(33)28-7-10-37-2)39(35,36)20-6-4-17-12-19(27)5-3-18(17)13-20;/h3-6,12-13,16,22,29H,7-11,14-15H2,1-2H3,(H,28,33);1H.

What are the key properties of 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride?

4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride has a molecular weight of 628.60 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-methoxyethyl)-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 22710501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).