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

C13H16BrN3S — CID 105316087

IUPAC[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2ccc(Br)c(C)c2)cs1
InChIInChI=1S/C13H16BrN3S/c1-8-5-10(3-4-12(8)14)13(17-15)6-11-7-18-9(2)16-11/h3-5,7,13,17H,6,15H2,1-2H3
InChIKeyPARJWUQXLQXUHL-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.27
Rot. Bonds4

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

[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105316087) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is [1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105316087
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2ccc(Br)c(C)c2)cs1
InChIInChI=1S/C13H16BrN3S/c1-8-5-10(3-4-12(8)14)13(17-15)6-11-7-18-9(2)16-11/h3-5,7,13,17H,6,15H2,1-2H3
InChIKeyPARJWUQXLQXUHL-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-(4-methoxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105258441
[1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316235
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105214788
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316122
4-[1-hydrazinyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105316088
[1-(3-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214571
[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316196
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316164
[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214792
[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329446
[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105214746
[1-(5-chloro-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316256

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (CID 105316087) is [1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is Cc1nc(CC(NN)c2ccc(Br)c(C)c2)cs1.
What is the InChIKey of [1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is PARJWUQXLQXUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-8-5-10(3-4-12(8)14)13(17-15)6-11-7-18-9(2)16-11/h3-5,7,13,17H,6,15H2,1-2H3.
What are the key properties of [1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-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-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105316087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).