N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide

C15H11N3O3S — CID 7105718

IUPACN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide
SMILESO=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccccc1
InChIInChI=1S/C15H11N3O3S/c19-14(9-4-2-1-3-5-9)17-18-15-16-10-6-11-12(21-8-20-11)7-13(10)22-15/h1-7H,8H2,(H,16,18)(H,17,19)
InChIKeyJQDIAYXLYNORGC-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.78
Rot. Bonds3

About N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide

N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide (PubChem CID 7105718) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide.

Molecular Properties

Compound NameN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide
PubChem CID7105718
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide
SMILESO=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccccc1
InChIInChI=1S/C15H11N3O3S/c19-14(9-4-2-1-3-5-9)17-18-15-16-10-6-11-12(21-8-20-11)7-13(10)22-15/h1-7H,8H2,(H,16,18)(H,17,19)
InChIKeyJQDIAYXLYNORGC-UHFFFAOYSA-N
XLogP2.78
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide?
The IUPAC name of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide (CID 7105718) is N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide.
What is the SMILES notation for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide?
The canonical SMILES for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide is O=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccccc1.
What is the InChIKey of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide?
The InChIKey is JQDIAYXLYNORGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-14(9-4-2-1-3-5-9)17-18-15-16-10-6-11-12(21-8-20-11)7-13(10)22-15/h1-7H,8H2,(H,16,18)(H,17,19).
What are the key properties of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide?
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide has a molecular weight of 313.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzohydrazide is sourced from PubChem (CID 7105718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).