1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C18H23FN4O2S — CID 51126717

About 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 51126717) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
• PubChem CID: 51126717
• Molecular Formula: C18H23FN4O2S
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.15
• IUPAC Name: 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
• SMILES: Cc1nc(CNC(=O)NCC(c2cccc(F)c2)N2CCOCC2)cs1
• InChI: InChI=1S/C18H23FN4O2S/c1-13-22-16(12-26-13)10-20-18(24)21-11-17(23-5-7-25-8-6-23)14-3-2-4-15(19)9-14/h2-4,9,12,17H,5-8,10-11H2,1H3,(H2,20,21,24)
• InChIKey: MMTXOQNOWTTZDR-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.47
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?

The IUPAC name of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 51126717) is 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?

The canonical SMILES for 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)NCC(c2cccc(F)c2)N2CCOCC2)cs1.

What is the InChIKey of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?

The InChIKey is MMTXOQNOWTTZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-13-22-16(12-26-13)10-20-18(24)21-11-17(23-5-7-25-8-6-23)14-3-2-4-15(19)9-14/h2-4,9,12,17H,5-8,10-11H2,1H3,(H2,20,21,24).

What are the key properties of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?

1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 378.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 51126717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).