1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C21H27N5O4S2 — CID 90529398

About 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529398) has the molecular formula C21H27N5O4S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 90529398
• Molecular Formula: C21H27N5O4S2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.15
• IUPAC Name: 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)cc1
• InChI: InChI=1S/C21H27N5O4S2/c1-25(2)32(29,30)16-9-7-14(8-10-16)19(27)26-12-11-17-18(13-26)31-21(23-17)24-20(28)22-15-5-3-4-6-15/h7-10,15H,3-6,11-13H2,1-2H3,(H2,22,23,24,28)
• InChIKey: UHXWIZFKRWWCLW-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The IUPAC name of 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529398) is 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

What is the SMILES notation for 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The canonical SMILES for 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)cc1.

What is the InChIKey of 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The InChIKey is UHXWIZFKRWWCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S2/c1-25(2)32(29,30)16-9-7-14(8-10-16)19(27)26-12-11-17-18(13-26)31-21(23-17)24-20(28)22-15-5-3-4-6-15/h7-10,15H,3-6,11-13H2,1-2H3,(H2,22,23,24,28).

What are the key properties of 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 477.61 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).