1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea

C16H19N5O3S — CID 46989161

About 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea

1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea (PubChem CID 46989161) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
• PubChem CID: 46989161
• Molecular Formula: C16H19N5O3S
• Molecular Weight: 361.43 g/mol
• Exact Mass: 361.12
• IUPAC Name: 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
• SMILES: Cc1ccc(Cc2nnc(NC(=O)NCCN3CCOC3=O)s2)cc1
• InChI: InChI=1S/C16H19N5O3S/c1-11-2-4-12(5-3-11)10-13-19-20-15(25-13)18-14(22)17-6-7-21-8-9-24-16(21)23/h2-5H,6-10H2,1H3,(H2,17,18,20,22)
• InChIKey: GURZQHGVIOIHCW-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.43
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea?

The IUPAC name of 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea (CID 46989161) is 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea.

What is the SMILES notation for 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea?

The canonical SMILES for 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea is Cc1ccc(Cc2nnc(NC(=O)NCCN3CCOC3=O)s2)cc1.

What is the InChIKey of 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea?

The InChIKey is GURZQHGVIOIHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-11-2-4-12(5-3-11)10-13-19-20-15(25-13)18-14(22)17-6-7-21-8-9-24-16(21)23/h2-5H,6-10H2,1H3,(H2,17,18,20,22).

What are the key properties of 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea?

1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea has a molecular weight of 361.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea is sourced from PubChem (CID 46989161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).