[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine

C13H16BrN3S — CID 105326521

IUPAC[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1csc(CC(NN)c2ccc(Br)cc2C)n1
InChIInChI=1S/C13H16BrN3S/c1-8-5-10(14)3-4-11(8)12(17-15)6-13-16-9(2)7-18-13/h3-5,7,12,17H,6,15H2,1-2H3
InChIKeyYOOZEZSSNNYCDL-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.27
Rot. Bonds4

About [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine

[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105326521) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105326521
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1csc(CC(NN)c2ccc(Br)cc2C)n1
InChIInChI=1S/C13H16BrN3S/c1-8-5-10(14)3-4-11(8)12(17-15)6-13-16-9(2)7-18-13/h3-5,7,12,17H,6,15H2,1-2H3
InChIKeyYOOZEZSSNNYCDL-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.27
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

[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326577
[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107979313
[1-(2-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 106793984
[1-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214246
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 65318322
[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326618
[1-(3-bromophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105202756
4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline
CID 105263391
[1-(2,6-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214156
[1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105194644
[1-(5-methyl-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214131
[2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193895

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (CID 105326521) is [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is Cc1csc(CC(NN)c2ccc(Br)cc2C)n1.
What is the InChIKey of [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is YOOZEZSSNNYCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-8-5-10(14)3-4-11(8)12(17-15)6-13-16-9(2)7-18-13/h3-5,7,12,17H,6,15H2,1-2H3.
What are the key properties of [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 326.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105326521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).