4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride

C24H37ClN4O3S2 — CID 18567168

About 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride

4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride (PubChem CID 18567168) has the molecular formula C24H37ClN4O3S2 and a molecular weight of 529.17 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
• PubChem CID: 18567168
• Molecular Formula: C24H37ClN4O3S2
• Molecular Weight: 529.17 g/mol
• Exact Mass: 528.20
• IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
• SMILES: CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc1.Cl
• InChI: InChI=1S/C24H36N4O3S2.ClH/c1-16(2)13-28(14-17(3)4)33(30,31)20-9-7-19(8-10-20)23(29)26-24-25-21-11-12-27(18(5)6)15-22(21)32-24;/h7-10,16-18H,11-15H2,1-6H3,(H,25,26,29);1H
• InChIKey: YOLUIQSYMUEBPD-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.17
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?

The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride (CID 18567168) is 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride.

What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?

The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc1.Cl.

What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?

The InChIKey is YOLUIQSYMUEBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S2.ClH/c1-16(2)13-28(14-17(3)4)33(30,31)20-9-7-19(8-10-20)23(29)26-24-25-21-11-12-27(18(5)6)15-22(21)32-24;/h7-10,16-18H,11-15H2,1-6H3,(H,25,26,29);1H.

What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?

4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride has a molecular weight of 529.17 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 18567168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).