1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

C12H10F4N4OS — CID 154760224

About 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 154760224) has the molecular formula C12H10F4N4OS and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
• PubChem CID: 154760224
• Molecular Formula: C12H10F4N4OS
• Molecular Weight: 334.30 g/mol
• Exact Mass: 334.05
• IUPAC Name: 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
• SMILES: Cc1csc(C(NC(=O)Nc2ccc(F)cn2)C(F)(F)F)n1
• InChI: InChI=1S/C12H10F4N4OS/c1-6-5-22-10(18-6)9(12(14,15)16)20-11(21)19-8-3-2-7(13)4-17-8/h2-5,9H,1H3,(H2,17,19,20,21)
• InChIKey: BDJSACKHFQYHEA-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.30
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?

The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 154760224) is 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?

The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc(C(NC(=O)Nc2ccc(F)cn2)C(F)(F)F)n1.

What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?

The InChIKey is BDJSACKHFQYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4OS/c1-6-5-22-10(18-6)9(12(14,15)16)20-11(21)19-8-3-2-7(13)4-17-8/h2-5,9H,1H3,(H2,17,19,20,21).

What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?

1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 334.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 154760224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).