1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea

C19H24FN3O3S — CID 99819299

About 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea

1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea (PubChem CID 99819299) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea
• PubChem CID: 99819299
• Molecular Formula: C19H24FN3O3S
• Molecular Weight: 393.48 g/mol
• Exact Mass: 393.15
• IUPAC Name: 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea
• SMILES: COC1(CNC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)CCOCC1
• InChI: InChI=1S/C19H24FN3O3S/c1-13-3-4-14(10-16(13)20)9-15-11-21-18(27-15)23-17(24)22-12-19(25-2)5-7-26-8-6-19/h3-4,10-11H,5-9,12H2,1-2H3,(H2,21,22,23,24)
• InChIKey: NZVKXIWDKKIQOX-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea (CID 99819299) is 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea.

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

The canonical SMILES for 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea is COC1(CNC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)CCOCC1.

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

The InChIKey is NZVKXIWDKKIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-13-3-4-14(10-16(13)20)9-15-11-21-18(27-15)23-17(24)22-12-19(25-2)5-7-26-8-6-19/h3-4,10-11H,5-9,12H2,1-2H3,(H2,21,22,23,24).

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

1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea has a molecular weight of 393.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 99819299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).