[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine

C15H19N5S — CID 105325079

IUPAC[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1nn(C)c(C)c1C(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C15H19N5S/c1-9-15(10(2)20(3)19-9)12(18-16)8-14-17-11-6-4-5-7-13(11)21-14/h4-7,12,18H,8,16H2,1-3H3
InChIKeyXQOSOZJPHBJXEF-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.39
Rot. Bonds4

About [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine

[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105325079) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105325079
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1nn(C)c(C)c1C(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C15H19N5S/c1-9-15(10(2)20(3)19-9)12(18-16)8-14-17-11-6-4-5-7-13(11)21-14/h4-7,12,18H,8,16H2,1-3H3
InChIKeyXQOSOZJPHBJXEF-UHFFFAOYSA-N
XLogP2.39
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.39
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

[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105325082
[2-(1,3-benzothiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209241
2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 102804188
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105325075
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 105325149
[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
CID 105325041
[2-(4-ethylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105287881
[2-(1,3-benzothiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694613
[2-(2-methyl-1,3-thiazol-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105316132
[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105284541
[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222503

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine (CID 105325079) is [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine is Cc1nn(C)c(C)c1C(Cc1nc2ccccc2s1)NN.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is XQOSOZJPHBJXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-9-15(10(2)20(3)19-9)12(18-16)8-14-17-11-6-4-5-7-13(11)21-14/h4-7,12,18H,8,16H2,1-3H3.
What are the key properties of [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 301.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105325079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).