(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine

C7H4Cl2FN3S — CID 19933467

IUPAC(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine
SMILESNNc1c(F)cc(Cl)c2nc(Cl)sc12
InChIInChI=1S/C7H4Cl2FN3S/c8-2-1-3(10)5(13-11)6-4(2)12-7(9)14-6/h1,13H,11H2
InChIKeyXRHMVHNQJDOBCC-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.03
Rot. Bonds1

About (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine

(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine (PubChem CID 19933467) has the molecular formula C7H4Cl2FN3S and a molecular weight of 252.10 g/mol. Its IUPAC name is (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine.

Molecular Properties

Compound Name(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine
PubChem CID19933467
Molecular FormulaC7H4Cl2FN3S
Molecular Weight252.10 g/mol
Exact Mass250.95
IUPAC Name(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine
SMILESNNc1c(F)cc(Cl)c2nc(Cl)sc12
InChIInChI=1S/C7H4Cl2FN3S/c8-2-1-3(10)5(13-11)6-4(2)12-7(9)14-6/h1,13H,11H2
InChIKeyXRHMVHNQJDOBCC-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine?
The IUPAC name of (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine (CID 19933467) is (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine.
What is the SMILES notation for (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine?
The canonical SMILES for (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine is NNc1c(F)cc(Cl)c2nc(Cl)sc12.
What is the InChIKey of (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine?
The InChIKey is XRHMVHNQJDOBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2FN3S/c8-2-1-3(10)5(13-11)6-4(2)12-7(9)14-6/h1,13H,11H2.
What are the key properties of (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine?
(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine has a molecular weight of 252.10 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)hydrazine is sourced from PubChem (CID 19933467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).