1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea

C15H23N5O2S — CID 97351606

About 1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea

1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 97351606) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
• PubChem CID: 97351606
• Molecular Formula: C15H23N5O2S
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.16
• IUPAC Name: 1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
• SMILES: Cc1noc([C@@H](NC(=O)N(C)C[C@@H](C)c2nccs2)C(C)C)n1
• InChI: InChI=1S/C15H23N5O2S/c1-9(2)12(13-17-11(4)19-22-13)18-15(21)20(5)8-10(3)14-16-6-7-23-14/h6-7,9-10,12H,8H2,1-5H3,(H,18,21)/t10-,12+/m1/s1
• InChIKey: FJFFGDIMXCZPJC-PWSUYJOCSA-N
• XLogP: 2.98
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea (CID 97351606) is 1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea.

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

The canonical SMILES for 1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea is Cc1noc([C@@H](NC(=O)N(C)C[C@@H](C)c2nccs2)C(C)C)n1.

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

The InChIKey is FJFFGDIMXCZPJC-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-9(2)12(13-17-11(4)19-22-13)18-15(21)20(5)8-10(3)14-16-6-7-23-14/h6-7,9-10,12H,8H2,1-5H3,(H,18,21)/t10-,12+/m1/s1.

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

1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 337.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 97351606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).