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

C7H6FN3S — CID 2049844

IUPAC(6-fluoro-1,3-benzothiazol-2-yl)hydrazine
SMILESNNc1nc2ccc(F)cc2s1
InChIInChI=1S/C7H6FN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)
InChIKeyQODXZESJVXQCSC-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.72
Rot. Bonds1

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

(6-fluoro-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 2049844) has the molecular formula C7H6FN3S and a molecular weight of 183.21 g/mol. Its IUPAC name is (6-fluoro-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(6-fluoro-1,3-benzothiazol-2-yl)hydrazine
PubChem CID2049844
Molecular FormulaC7H6FN3S
Molecular Weight183.21 g/mol
Exact Mass183.03
IUPAC Name(6-fluoro-1,3-benzothiazol-2-yl)hydrazine
SMILESNNc1nc2ccc(F)cc2s1
InChIInChI=1S/C7H6FN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)
InChIKeyQODXZESJVXQCSC-UHFFFAOYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.72
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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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
2-Amino-6-methylbenzothiazole
CID 17335
2,6-Benzothiazolediamine
CID 21504
6-Chloro-2-benzothiazolamine
CID 7226
2-Benzothiazolinone, hydrazone
CID 11988
5-Chloro-2-benzothiazolamine
CID 30120
2-Amino-6-fluorobenzothiazole
CID 319954
2-Benzothiazolamine, 6-bromo-
CID 85149
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of (6-fluoro-1,3-benzothiazol-2-yl)hydrazine (CID 2049844) is (6-fluoro-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for (6-fluoro-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for (6-fluoro-1,3-benzothiazol-2-yl)hydrazine is NNc1nc2ccc(F)cc2s1.
What is the InChIKey of (6-fluoro-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is QODXZESJVXQCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11).
What are the key properties of (6-fluoro-1,3-benzothiazol-2-yl)hydrazine?
(6-fluoro-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 183.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 2049844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).