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

C15H15F3N4O3S2 — CID 71788268

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

1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 71788268) has the molecular formula C15H15F3N4O3S2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
• PubChem CID: 71788268
• Molecular Formula: C15H15F3N4O3S2
• Molecular Weight: 420.44 g/mol
• Exact Mass: 420.05
• IUPAC Name: 1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
• SMILES: CS(=O)(=O)N1CCc2nc(NC(=O)Nc3ccccc3C(F)(F)F)sc2C1
• InChI: InChI=1S/C15H15F3N4O3S2/c1-27(24,25)22-7-6-11-12(8-22)26-14(20-11)21-13(23)19-10-5-3-2-4-9(10)15(16,17)18/h2-5H,6-8H2,1H3,(H2,19,20,21,23)
• InChIKey: WSCINUQKNIDNRJ-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.44
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 71788268) is 1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea.

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

The canonical SMILES for 1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea is CS(=O)(=O)N1CCc2nc(NC(=O)Nc3ccccc3C(F)(F)F)sc2C1.

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

The InChIKey is WSCINUQKNIDNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S2/c1-27(24,25)22-7-6-11-12(8-22)26-14(20-11)21-13(23)19-10-5-3-2-4-9(10)15(16,17)18/h2-5H,6-8H2,1H3,(H2,19,20,21,23).

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

1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 420.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71788268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).