6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine

C9H9N3O2S — CID 2771030

IUPAC6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine
SMILESNNc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C9H9N3O2S/c10-12-9-11-5-3-6-7(4-8(5)15-9)14-2-1-13-6/h3-4H,1-2,10H2,(H,11,12)
InChIKeyPUZHURASRHZHGT-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.35
Rot. Bonds1

About 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine

6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine (PubChem CID 2771030) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine.

Molecular Properties

Compound Name6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine
PubChem CID2771030
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine
SMILESNNc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C9H9N3O2S/c10-12-9-11-5-3-6-7(4-8(5)15-9)14-2-1-13-6/h3-4H,1-2,10H2,(H,11,12)
InChIKeyPUZHURASRHZHGT-UHFFFAOYSA-N
XLogP1.35
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-Methoxy-2-benzothiazolamine
CID 41055
10,13-Dioxa-4-thia-6-azatricyclo(7.4.0.0,3,7)trideca-1(9),2,5,7-tetraen-5-amine
CID 771615
Amino-6-ethoxybenzothiazole, 2-
CID 7192
Benzothiazole, 5,6-dimethoxy-2-methyl-
CID 112829
5,6-Dimethoxy-1,3-benzothiazol-2-amine
CID 94938
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)isobutyramide
CID 5141758
methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
CID 817755
4,6-Dioxa-10-thia-12-azatricyclo(7.3.0.0,3,7)dodeca-1,3(7),8,11-tetraen-11-amine
CID 2049900
2-Chloro-5,6-dimethoxy-1,3-benzothiazole
CID 7059202
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)cyclohexanecarboxamide
CID 2330217
2-Piperidin-1-yl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazole
CID 3240968
2-(4-Phenylpiperazin-1-yl)-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazole
CID 3242329

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine?
The IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine (CID 2771030) is 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine.
What is the SMILES notation for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine?
The canonical SMILES for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine is NNc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine?
The InChIKey is PUZHURASRHZHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c10-12-9-11-5-3-6-7(4-8(5)15-9)14-2-1-13-6/h3-4H,1-2,10H2,(H,11,12).
What are the key properties of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine?
6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine has a molecular weight of 223.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylhydrazine is sourced from PubChem (CID 2771030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).