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

C13H17N3S — CID 105253712

IUPAC[2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
SMILESCc1cc(C)cc(CC(NN)c2cncs2)c1
InChIInChI=1S/C13H17N3S/c1-9-3-10(2)5-11(4-9)6-12(16-14)13-7-15-8-17-13/h3-5,7-8,12,16H,6,14H2,1-2H3
InChIKeyVBAVVVGXXBYWMZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.51
Rot. Bonds4

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

[2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine (PubChem CID 105253712) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
PubChem CID105253712
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
SMILESCc1cc(C)cc(CC(NN)c2cncs2)c1
InChIInChI=1S/C13H17N3S/c1-9-3-10(2)5-11(4-9)6-12(16-14)13-7-15-8-17-13/h3-5,7-8,12,16H,6,14H2,1-2H3
InChIKeyVBAVVVGXXBYWMZ-UHFFFAOYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.51
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-(4-tert-butylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253806
[2-(2-methyl-1,3-thiazol-4-yl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253862
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 105406726
[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105212681
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253636
[3-ethyl-1-(1,3-thiazol-5-yl)pentyl]hydrazine
CID 105253926
1-(1,3-thiazol-5-yl)hexylhydrazine
CID 105253890
[2-(2,5-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253684
[2-(5-chloro-2-fluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 103053663
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287290
[2-(3,5-dimethylphenyl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105212680
[2-(2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253934

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine (CID 105253712) is [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine is Cc1cc(C)cc(CC(NN)c2cncs2)c1.
What is the InChIKey of [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine?
The InChIKey is VBAVVVGXXBYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-3-10(2)5-11(4-9)6-12(16-14)13-7-15-8-17-13/h3-5,7-8,12,16H,6,14H2,1-2H3.
What are the key properties of [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine?
[2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine has a molecular weight of 247.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105253712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).