[1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine

C7H5N5S2 — CID 118201080

IUPAC[1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine
SMILESNNc1nc2cc3nsnc3cc2s1
InChIInChI=1S/C7H5N5S2/c8-10-7-9-5-1-3-4(12-14-11-3)2-6(5)13-7/h1-2H,8H2,(H,9,10)
InChIKeyLURVMNKVVFRPAC-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.59
Rot. Bonds1

About [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine

[1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine (PubChem CID 118201080) has the molecular formula C7H5N5S2 and a molecular weight of 223.29 g/mol. Its IUPAC name is [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine.

Molecular Properties

Compound Name[1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine
PubChem CID118201080
Molecular FormulaC7H5N5S2
Molecular Weight223.29 g/mol
Exact Mass223.00
IUPAC Name[1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine
SMILESNNc1nc2cc3nsnc3cc2s1
InChIInChI=1S/C7H5N5S2/c8-10-7-9-5-1-3-4(12-14-11-3)2-6(5)13-7/h1-2H,8H2,(H,9,10)
InChIKeyLURVMNKVVFRPAC-UHFFFAOYSA-N
XLogP1.59
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine
CID 50882373
[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine
CID 87338006
[6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine
CID 86583251
[6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine
CID 94671928
N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
CID 51370683
N-(6-bromo-1,3-benzothiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 121082888
2-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3-benzothiazole-2,6-diamine
CID 65473675
2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 50882049
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
(4-chloro-1,3-benzothiazol-2-yl)hydrazine
CID 2049837
5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine
CID 91740451
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide
CID 15403567

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine?
The IUPAC name of [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine (CID 118201080) is [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine.
What is the SMILES notation for [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine?
The canonical SMILES for [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine is NNc1nc2cc3nsnc3cc2s1.
What is the InChIKey of [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine?
The InChIKey is LURVMNKVVFRPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5S2/c8-10-7-9-5-1-3-4(12-14-11-3)2-6(5)13-7/h1-2H,8H2,(H,9,10).
What are the key properties of [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine?
[1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine has a molecular weight of 223.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine is sourced from PubChem (CID 118201080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).