4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol

C17H13N3OS2 — CID 71597113

IUPAC4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol
SMILESOc1ccc(C2SC=C3SC(/N=C\c4ccccc4)=NN32)cc1
InChIInChI=1S/C17H13N3OS2/c21-14-8-6-13(7-9-14)16-20-15(11-22-16)23-17(19-20)18-10-12-4-2-1-3-5-12/h1-11,16,21H/b18-10-
InChIKeyYJKHJDJXWMPOHH-ZDLGFXPLSA-N
MW339.45 g/mol
LogP4.38
Rot. Bonds2

About 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol

4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol (PubChem CID 71597113) has the molecular formula C17H13N3OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol
PubChem CID71597113
Molecular FormulaC17H13N3OS2
Molecular Weight339.45 g/mol
Exact Mass339.05
IUPAC Name4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol
SMILESOc1ccc(C2SC=C3SC(/N=C\c4ccccc4)=NN32)cc1
InChIInChI=1S/C17H13N3OS2/c21-14-8-6-13(7-9-14)16-20-15(11-22-16)23-17(19-20)18-10-12-4-2-1-3-5-12/h1-11,16,21H/b18-10-
InChIKeyYJKHJDJXWMPOHH-ZDLGFXPLSA-N
XLogP4.38
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol?
The IUPAC name of 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol (CID 71597113) is 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol.
What is the SMILES notation for 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol?
The canonical SMILES for 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol is Oc1ccc(C2SC=C3SC(/N=C\c4ccccc4)=NN32)cc1.
What is the InChIKey of 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol?
The InChIKey is YJKHJDJXWMPOHH-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H13N3OS2/c21-14-8-6-13(7-9-14)16-20-15(11-22-16)23-17(19-20)18-10-12-4-2-1-3-5-12/h1-11,16,21H/b18-10-.
What are the key properties of 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol?
4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol has a molecular weight of 339.45 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-benzylideneamino]-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-5-yl]phenol is sourced from PubChem (CID 71597113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).