(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine

C9H11N3S — CID 2049854

IUPAC(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
SMILESCc1ccc(C)c2sc(NN)nc12
InChIInChI=1S/C9H11N3S/c1-5-3-4-6(2)8-7(5)11-9(12-10)13-8/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyJDPZTUCZLBRFDA-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.20
Rot. Bonds1

About (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine

(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 2049854) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
PubChem CID2049854
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
SMILESCc1ccc(C)c2sc(NN)nc12
InChIInChI=1S/C9H11N3S/c1-5-3-4-6(2)8-7(5)11-9(12-10)13-8/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyJDPZTUCZLBRFDA-UHFFFAOYSA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.20
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

N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191548
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43989144
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzenesulfonamide
CID 16934102
4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine
CID 89125095
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43989134
methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192912
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934138
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole
CID 135196378

Frequently Asked Questions

What is the IUPAC name of (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine (CID 2049854) is (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine is Cc1ccc(C)c2sc(NN)nc12.
What is the InChIKey of (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is JDPZTUCZLBRFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-5-3-4-6(2)8-7(5)11-9(12-10)13-8/h3-4H,10H2,1-2H3,(H,11,12).
What are the key properties of (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine?
(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 193.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 2049854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).