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

C18H19F3N4O2S — CID 90529853

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

1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529853) has the molecular formula C18H19F3N4O2S and a molecular weight of 412.44 g/mol. Its IUPAC name is 1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 90529853
• Molecular Formula: C18H19F3N4O2S
• Molecular Weight: 412.44 g/mol
• Exact Mass: 412.12
• IUPAC Name: 1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2
• InChI: InChI=1S/C18H19F3N4O2S/c1-10(2)22-16(27)24-17-23-13-6-7-25(9-14(13)28-17)15(26)11-4-3-5-12(8-11)18(19,20)21/h3-5,8,10H,6-7,9H2,1-2H3,(H2,22,23,24,27)
• InChIKey: WYZKQQJTOOOBMZ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.44
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529853) is 1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

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

The canonical SMILES for 1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2.

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

The InChIKey is WYZKQQJTOOOBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2S/c1-10(2)22-16(27)24-17-23-13-6-7-25(9-14(13)28-17)15(26)11-4-3-5-12(8-11)18(19,20)21/h3-5,8,10H,6-7,9H2,1-2H3,(H2,22,23,24,27).

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

1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 412.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).