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

C24H37ClN4O3S2 — CID 18567188

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

4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride (PubChem CID 18567188) 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-propyl-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-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
• PubChem CID: 18567188
• Molecular Formula: C24H37ClN4O3S2
• Molecular Weight: 529.17 g/mol
• Exact Mass: 528.20
• IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
• SMILES: CCCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)sc2C1.Cl
• InChI: InChI=1S/C24H36N4O3S2.ClH/c1-6-12-27-13-11-21-22(16-27)32-24(25-21)26-23(29)19-7-9-20(10-8-19)33(30,31)28(14-17(2)3)15-18(4)5;/h7-10,17-18H,6,11-16H2,1-5H3,(H,25,26,29);1H
• InChIKey: AJFPEKVCXZZYFQ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• 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-propyl-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-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride (CID 18567188) is 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propyl-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-propyl-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-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride is CCCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)sc2C1.Cl.

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

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

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

4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propyl-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, 10 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-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 18567188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).