N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide

C15H17N5O2S2 — CID 22971276

About N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide (PubChem CID 22971276) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide
• PubChem CID: 22971276
• Molecular Formula: C15H17N5O2S2
• Molecular Weight: 363.47 g/mol
• Exact Mass: 363.08
• IUPAC Name: N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide
• SMILES: CCc1cnc(CSc2cnc(NC(=O)Cc3cn(C)cn3)s2)o1
• InChI: InChI=1S/C15H17N5O2S2/c1-3-11-5-16-13(22-11)8-23-14-6-17-15(24-14)19-12(21)4-10-7-20(2)9-18-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,19,21)
• InChIKey: KOZHJSBGMRWHQV-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.47
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide?

The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide (CID 22971276) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide.

What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide?

The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide is CCc1cnc(CSc2cnc(NC(=O)Cc3cn(C)cn3)s2)o1.

What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide?

The InChIKey is KOZHJSBGMRWHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-3-11-5-16-13(22-11)8-23-14-6-17-15(24-14)19-12(21)4-10-7-20(2)9-18-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,19,21).

What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide?

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide has a molecular weight of 363.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 22971276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).