[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine

C8H8FN3OS — CID 87338006

IUPAC[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine
SMILESNNc1nc2ccc(OCF)cc2s1
InChIInChI=1S/C8H8FN3OS/c9-4-13-5-1-2-6-7(3-5)14-8(11-6)12-10/h1-3H,4,10H2,(H,11,12)
InChIKeyNIGUBGDEHNYKTR-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.89
Rot. Bonds3

About [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine

[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine (PubChem CID 87338006) has the molecular formula C8H8FN3OS and a molecular weight of 213.24 g/mol. Its IUPAC name is [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine
PubChem CID87338006
Molecular FormulaC8H8FN3OS
Molecular Weight213.24 g/mol
Exact Mass213.04
IUPAC Name[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine
SMILESNNc1nc2ccc(OCF)cc2s1
InChIInChI=1S/C8H8FN3OS/c9-4-13-5-1-2-6-7(3-5)14-8(11-6)12-10/h1-3H,4,10H2,(H,11,12)
InChIKeyNIGUBGDEHNYKTR-UHFFFAOYSA-N
XLogP1.89
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine
CID 86583251
1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine
CID 56603013
(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine
CID 50882373
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 134241624
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870

Frequently Asked Questions

What is the IUPAC name of [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine?
The IUPAC name of [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine (CID 87338006) is [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine.
What is the SMILES notation for [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine?
The canonical SMILES for [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine is NNc1nc2ccc(OCF)cc2s1.
What is the InChIKey of [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine?
The InChIKey is NIGUBGDEHNYKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3OS/c9-4-13-5-1-2-6-7(3-5)14-8(11-6)12-10/h1-3H,4,10H2,(H,11,12).
What are the key properties of [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine?
[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine has a molecular weight of 213.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine is sourced from PubChem (CID 87338006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).