1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea

C14H20N4O2S2 — CID 22970860

About 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea

1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea (PubChem CID 22970860) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea.

Molecular Properties

• Compound Name: 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea
• PubChem CID: 22970860
• Molecular Formula: C14H20N4O2S2
• Molecular Weight: 340.47 g/mol
• Exact Mass: 340.10
• IUPAC Name: 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea
• SMILES: CCc1cnc(CSc2cnc(NC(=O)NCC(C)C)s2)o1
• InChI: InChI=1S/C14H20N4O2S2/c1-4-10-6-15-11(20-10)8-21-12-7-17-14(22-12)18-13(19)16-5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H2,16,17,18,19)
• InChIKey: WCUZTQYUHRPICO-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.47
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea?

The IUPAC name of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea (CID 22970860) is 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea.

What is the SMILES notation for 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea?

The canonical SMILES for 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea is CCc1cnc(CSc2cnc(NC(=O)NCC(C)C)s2)o1.

What is the InChIKey of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea?

The InChIKey is WCUZTQYUHRPICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-4-10-6-15-11(20-10)8-21-12-7-17-14(22-12)18-13(19)16-5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H2,16,17,18,19).

What are the key properties of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea?

1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea has a molecular weight of 340.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 22970860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).