1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C15H21N3O3S — CID 96518481

About 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 96518481) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
• PubChem CID: 96518481
• Molecular Formula: C15H21N3O3S
• Molecular Weight: 323.42 g/mol
• Exact Mass: 323.13
• IUPAC Name: 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
• SMILES: Cc1ccc([C@](C)(O)CNC(=O)NCCc2csc(C)n2)o1
• InChI: InChI=1S/C15H21N3O3S/c1-10-4-5-13(21-10)15(3,20)9-17-14(19)16-7-6-12-8-22-11(2)18-12/h4-5,8,20H,6-7,9H2,1-3H3,(H2,16,17,19)/t15-/m1/s1
• InChIKey: GHONTSWDWLZLPY-OAHLLOKOSA-N
• XLogP: 2.10
• TPSA: 87.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.42
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?

The IUPAC name of 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 96518481) is 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?

The canonical SMILES for 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1ccc([C@](C)(O)CNC(=O)NCCc2csc(C)n2)o1.

What is the InChIKey of 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?

The InChIKey is GHONTSWDWLZLPY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10-4-5-13(21-10)15(3,20)9-17-14(19)16-7-6-12-8-22-11(2)18-12/h4-5,8,20H,6-7,9H2,1-3H3,(H2,16,17,19)/t15-/m1/s1.

What are the key properties of 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?

1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 323.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 96518481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).