1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

C15H20N4O3S — CID 94031299

About 1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 94031299) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

• Compound Name: 1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
• PubChem CID: 94031299
• Molecular Formula: C15H20N4O3S
• Molecular Weight: 336.42 g/mol
• Exact Mass: 336.13
• IUPAC Name: 1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
• SMILES: Cc1nnc(NC(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)s1
• InChI: InChI=1S/C15H20N4O3S/c1-10(12-6-4-3-5-7-12)22-9-13(20)8-16-14(21)17-15-19-18-11(2)23-15/h3-7,10,13,20H,8-9H2,1-2H3,(H2,16,17,19,21)/t10-,13-/m1/s1
• InChIKey: GJJUFIRQEXSLGY-ZWNOBZJWSA-N
• XLogP: 2.11
• TPSA: 96.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.42
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 94031299) is 1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

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

The canonical SMILES for 1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(NC(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)s1.

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

The InChIKey is GJJUFIRQEXSLGY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10(12-6-4-3-5-7-12)22-9-13(20)8-16-14(21)17-15-19-18-11(2)23-15/h3-7,10,13,20H,8-9H2,1-2H3,(H2,16,17,19,21)/t10-,13-/m1/s1.

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

1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 336.42 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 94031299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).