acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C16H13N3O5S — CID 45125892

About acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 45125892) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 45125892
• Molecular Formula: C16H13N3O5S
• Molecular Weight: 359.36 g/mol
• Exact Mass: 359.06
• IUPAC Name: acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: CC(=O)O.Cc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)o1
• InChI: InChI=1S/C14H9N3O3S.C2H4O2/c1-8-4-5-9(20-8)7-11-13(18)17-14(21-11)15-12(16-17)10-3-2-6-19-10;1-2(3)4/h2-7H,1H3;1H3,(H,3,4)/b11-7-
• InChIKey: SGORSZMRVLXECK-AJULUCINSA-N
• XLogP: 1.95
• TPSA: 110.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.36
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The IUPAC name of acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 45125892) is acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

What is the SMILES notation for acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The canonical SMILES for acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CC(=O)O.Cc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)o1.

What is the InChIKey of acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The InChIKey is SGORSZMRVLXECK-AJULUCINSA-N. The full InChI is InChI=1S/C14H9N3O3S.C2H4O2/c1-8-4-5-9(20-8)7-11-13(18)17-14(21-11)15-12(16-17)10-3-2-6-19-10;1-2(3)4/h2-7H,1H3;1H3,(H,3,4)/b11-7-;.

What are the key properties of acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 359.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 45125892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).