N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide

C15H9FN4OS2 — CID 4248360

IUPACN'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
SMILESO=C(NNc1nc2c(F)cccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C15H9FN4OS2/c16-8-4-3-7-11-12(8)18-15(23-11)20-19-13(21)14-17-9-5-1-2-6-10(9)22-14/h1-7H,(H,18,20)(H,19,21)
InChIKeyUOGYMLDAFVZKLA-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.80
Rot. Bonds3

About N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide

N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide (PubChem CID 4248360) has the molecular formula C15H9FN4OS2 and a molecular weight of 344.40 g/mol. Its IUPAC name is N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
PubChem CID4248360
Molecular FormulaC15H9FN4OS2
Molecular Weight344.40 g/mol
Exact Mass344.02
IUPAC NameN'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
SMILESO=C(NNc1nc2c(F)cccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C15H9FN4OS2/c16-8-4-3-7-11-12(8)18-15(23-11)20-19-13(21)14-17-9-5-1-2-6-10(9)22-14/h1-7H,(H,18,20)(H,19,21)
InChIKeyUOGYMLDAFVZKLA-UHFFFAOYSA-N
XLogP3.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.80
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'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide?
The IUPAC name of N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide (CID 4248360) is N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide?
The canonical SMILES for N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide is O=C(NNc1nc2c(F)cccc2s1)c1nc2ccccc2s1.
What is the InChIKey of N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide?
The InChIKey is UOGYMLDAFVZKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4OS2/c16-8-4-3-7-11-12(8)18-15(23-11)20-19-13(21)14-17-9-5-1-2-6-10(9)22-14/h1-7H,(H,18,20)(H,19,21).
What are the key properties of N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide?
N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide has a molecular weight of 344.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide is sourced from PubChem (CID 4248360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).