[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine

C13H16BrN3S — CID 105192292

IUPAC[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2ccc(Br)cc2)sc1C
InChIInChI=1S/C13H16BrN3S/c1-8-9(2)18-13(16-8)7-12(17-15)10-3-5-11(14)6-4-10/h3-6,12,17H,7,15H2,1-2H3
InChIKeyDDGHXKIMKIESQK-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.27
Rot. Bonds4

About [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine

[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105192292) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105192292
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2ccc(Br)cc2)sc1C
InChIInChI=1S/C13H16BrN3S/c1-8-9(2)18-13(16-8)7-12(17-15)10-3-5-11(14)6-4-10/h3-6,12,17H,7,15H2,1-2H3
InChIKeyDDGHXKIMKIESQK-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

[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethyl]hydrazine
CID 105199172
[1-(4-bromo-3,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105279404
[1-(2,5-dibromothiophen-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107970504
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105326798
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
1,2-bis(4-bromophenyl)ethylhydrazine
CID 105192515
[1-(4-bromophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105192436
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-quinolin-2-ylethyl]hydrazine
CID 105218619
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105326726
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105326755
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019983
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-quinoxalin-2-ylethyl]hydrazine
CID 107357927

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine (CID 105192292) is [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine is Cc1nc(CC(NN)c2ccc(Br)cc2)sc1C.
What is the InChIKey of [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is DDGHXKIMKIESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-8-9(2)18-13(16-8)7-12(17-15)10-3-5-11(14)6-4-10/h3-6,12,17H,7,15H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(4-bromophenyl)-2-(4,5-dimethyl-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-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105192292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).