[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine

C17H19N3S — CID 105325082

IUPAC[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
SMILESCc1ccc(C)c(C(Cc2nc3ccccc3s2)NN)c1
InChIInChI=1S/C17H19N3S/c1-11-7-8-12(2)13(9-11)15(20-18)10-17-19-14-5-3-4-6-16(14)21-17/h3-9,15,20H,10,18H2,1-2H3
InChIKeyUSBIQMPSESUVDE-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.66
Rot. Bonds4

About [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine

[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine (PubChem CID 105325082) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
PubChem CID105325082
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
SMILESCc1ccc(C)c(C(Cc2nc3ccccc3s2)NN)c1
InChIInChI=1S/C17H19N3S/c1-11-7-8-12(2)13(9-11)15(20-18)10-17-19-14-5-3-4-6-16(14)21-17/h3-9,15,20H,10,18H2,1-2H3
InChIKeyUSBIQMPSESUVDE-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.66
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

[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 105325149
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105325075
2-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 82871636
[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
CID 105325041
[2-(1,3-benzothiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209241
[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105325079
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222503
[2-(1,3-benzothiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694613
2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79818452
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791130
2-[2-chloro-2-(2-methylphenyl)ethyl]-1,3-benzothiazole
CID 66458930

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine (CID 105325082) is [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine is Cc1ccc(C)c(C(Cc2nc3ccccc3s2)NN)c1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine?
The InChIKey is USBIQMPSESUVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11-7-8-12(2)13(9-11)15(20-18)10-17-19-14-5-3-4-6-16(14)21-17/h3-9,15,20H,10,18H2,1-2H3.
What are the key properties of [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine?
[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine has a molecular weight of 297.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105325082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).