1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea

C11H10N6O2S2 — CID 31259022

About 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 31259022) has the molecular formula C11H10N6O2S2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

• Compound Name: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
• PubChem CID: 31259022
• Molecular Formula: C11H10N6O2S2
• Molecular Weight: 322.38 g/mol
• Exact Mass: 322.03
• IUPAC Name: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
• SMILES: Cc1nnc(CNC(=O)Nc2nnc(-c3cccs3)s2)o1
• InChI: InChI=1S/C11H10N6O2S2/c1-6-14-15-8(19-6)5-12-10(18)13-11-17-16-9(21-11)7-3-2-4-20-7/h2-4H,5H2,1H3,(H2,12,13,17,18)
• InChIKey: NGUOFZZKOCPOGP-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 105.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.38
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea?

The IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 31259022) is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea.

What is the SMILES notation for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea?

The canonical SMILES for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(CNC(=O)Nc2nnc(-c3cccs3)s2)o1.

What is the InChIKey of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea?

The InChIKey is NGUOFZZKOCPOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2S2/c1-6-14-15-8(19-6)5-12-10(18)13-11-17-16-9(21-11)7-3-2-4-20-7/h2-4H,5H2,1H3,(H2,12,13,17,18).

What are the key properties of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea?

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 322.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 31259022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).