[2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate

C19H14N4O4S — CID 6527455

About [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate

[2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate (PubChem CID 6527455) has the molecular formula C19H14N4O4S and a molecular weight of 394.41 g/mol. Its IUPAC name is [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate.

Molecular Properties

• Compound Name: [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
• PubChem CID: 6527455
• Molecular Formula: C19H14N4O4S
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.07
• IUPAC Name: [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
• SMILES: COc1cc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)ccc1OC(C)=O
• InChI: InChI=1S/C19H14N4O4S/c1-11(24)27-14-6-5-12(8-15(14)26-2)9-16-18(25)23-19(28-16)21-17(22-23)13-4-3-7-20-10-13/h3-10H,1-2H3/b16-9-
• InChIKey: CXJVSLUVUSPJOF-SXGWCWSVSA-N
• XLogP: 1.69
• TPSA: 95.68 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate?

The IUPAC name of [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate (CID 6527455) is [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate.

What is the SMILES notation for [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate?

The canonical SMILES for [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate is COc1cc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)ccc1OC(C)=O.

What is the InChIKey of [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate?

The InChIKey is CXJVSLUVUSPJOF-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H14N4O4S/c1-11(24)27-14-6-5-12(8-15(14)26-2)9-16-18(25)23-19(28-16)21-17(22-23)13-4-3-7-20-10-13/h3-10H,1-2H3/b16-9-.

What are the key properties of [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate?

[2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate has a molecular weight of 394.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate is sourced from PubChem (CID 6527455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).