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

C16H18F3N5O3S2 — CID 90533144

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

1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 90533144) has the molecular formula C16H18F3N5O3S2 and a molecular weight of 449.48 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
• PubChem CID: 90533144
• Molecular Formula: C16H18F3N5O3S2
• Molecular Weight: 449.48 g/mol
• Exact Mass: 449.08
• IUPAC Name: 1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
• SMILES: CN(C)S(=O)(=O)N1CCc2nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)sc2C1
• InChI: InChI=1S/C16H18F3N5O3S2/c1-23(2)29(26,27)24-8-7-12-13(9-24)28-15(21-12)22-14(25)20-11-5-3-10(4-6-11)16(17,18)19/h3-6H,7-9H2,1-2H3,(H2,20,21,22,25)
• InChIKey: HRWNMGNUJMUMIT-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.48
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 90533144) is 1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea.

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

The canonical SMILES for 1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea is CN(C)S(=O)(=O)N1CCc2nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)sc2C1.

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

The InChIKey is HRWNMGNUJMUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3S2/c1-23(2)29(26,27)24-8-7-12-13(9-24)28-15(21-12)22-14(25)20-11-5-3-10(4-6-11)16(17,18)19/h3-6H,7-9H2,1-2H3,(H2,20,21,22,25).

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

1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 449.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90533144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).