(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine

C8H8N6S2 — CID 50882373

IUPAC(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine
SMILESNNc1nc2cc3nc(NN)sc3cc2s1
InChIInChI=1S/C8H8N6S2/c9-13-7-11-3-1-4-6(2-5(3)15-7)16-8(12-4)14-10/h1-2H,9-10H2,(H,11,13)(H,12,14)
InChIKeyDKFAERWGWYCFOF-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.48
Rot. Bonds2

About (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine

(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine (PubChem CID 50882373) has the molecular formula C8H8N6S2 and a molecular weight of 252.33 g/mol. Its IUPAC name is (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine.

Molecular Properties

Compound Name(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine
PubChem CID50882373
Molecular FormulaC8H8N6S2
Molecular Weight252.33 g/mol
Exact Mass252.03
IUPAC Name(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine
SMILESNNc1nc2cc3nc(NN)sc3cc2s1
InChIInChI=1S/C8H8N6S2/c9-13-7-11-3-1-4-6(2-5(3)15-7)16-8(12-4)14-10/h1-2H,9-10H2,(H,11,13)(H,12,14)
InChIKeyDKFAERWGWYCFOF-UHFFFAOYSA-N
XLogP1.48
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

[1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine
CID 118201080
[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
2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 50882049
2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179976
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
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179987

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine?
The IUPAC name of (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine (CID 50882373) is (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine.
What is the SMILES notation for (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine?
The canonical SMILES for (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine is NNc1nc2cc3nc(NN)sc3cc2s1.
What is the InChIKey of (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine?
The InChIKey is DKFAERWGWYCFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6S2/c9-13-7-11-3-1-4-6(2-5(3)15-7)16-8(12-4)14-10/h1-2H,9-10H2,(H,11,13)(H,12,14).
What are the key properties of (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine?
(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine has a molecular weight of 252.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine is sourced from PubChem (CID 50882373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).