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

C15H10FN3O3S — CID 5147260

IUPACN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide
SMILESO=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3S/c16-9-3-1-8(2-4-9)14(20)18-19-15-17-10-5-11-12(22-7-21-11)6-13(10)23-15/h1-6H,7H2,(H,17,19)(H,18,20)
InChIKeyBANGAKVBZVTDRG-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.92
Rot. Bonds3

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

N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide (PubChem CID 5147260) has the molecular formula C15H10FN3O3S and a molecular weight of 331.33 g/mol. Its IUPAC name is N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide
PubChem CID5147260
Molecular FormulaC15H10FN3O3S
Molecular Weight331.33 g/mol
Exact Mass331.04
IUPAC NameN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide
SMILESO=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3S/c16-9-3-1-8(2-4-9)14(20)18-19-15-17-10-5-11-12(22-7-21-11)6-13(10)23-15/h1-6H,7H2,(H,17,19)(H,18,20)
InChIKeyBANGAKVBZVTDRG-UHFFFAOYSA-N
XLogP2.92
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.92
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)-4-fluorobenzohydrazide?
The IUPAC name of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide (CID 5147260) is N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide is O=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccc(F)cc1.
What is the InChIKey of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide?
The InChIKey is BANGAKVBZVTDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3S/c16-9-3-1-8(2-4-9)14(20)18-19-15-17-10-5-11-12(22-7-21-11)6-13(10)23-15/h1-6H,7H2,(H,17,19)(H,18,20).
What are the key properties of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide?
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-fluorobenzohydrazide has a molecular weight of 331.33 g/mol, XLogP of 2.92, 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)-4-fluorobenzohydrazide is sourced from PubChem (CID 5147260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).