[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine

C12H13Br2N3S — CID 107979313

IUPAC[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1csc(CC(NN)c2cc(Br)cc(Br)c2)n1
InChIInChI=1S/C12H13Br2N3S/c1-7-6-18-12(16-7)5-11(17-15)8-2-9(13)4-10(14)3-8/h2-4,6,11,17H,5,15H2,1H3
InChIKeyAPDIOMZAFVROBJ-UHFFFAOYSA-N
MW391.13 g/mol
LogP3.72
Rot. Bonds4

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

[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 107979313) has the molecular formula C12H13Br2N3S and a molecular weight of 391.13 g/mol. Its IUPAC name is [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID107979313
Molecular FormulaC12H13Br2N3S
Molecular Weight391.13 g/mol
Exact Mass388.92
IUPAC Name[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1csc(CC(NN)c2cc(Br)cc(Br)c2)n1
InChIInChI=1S/C12H13Br2N3S/c1-7-6-18-12(16-7)5-11(17-15)8-2-9(13)4-10(14)3-8/h2-4,6,11,17H,5,15H2,1H3
InChIKeyAPDIOMZAFVROBJ-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 53.72
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-butyl-1,3-thiazol-2-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979295
[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326521
[2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethyl]hydrazine
CID 105214148
[1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105194644
[1-(4-ethylsulfanylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 106850391
[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326577
[2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193895
1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 107947699
[1-(2,6-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214156
[1-(5-methyl-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214131
[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326618
[1-(2-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 106793984

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (CID 107979313) is [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is Cc1csc(CC(NN)c2cc(Br)cc(Br)c2)n1.
What is the InChIKey of [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is APDIOMZAFVROBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3S/c1-7-6-18-12(16-7)5-11(17-15)8-2-9(13)4-10(14)3-8/h2-4,6,11,17H,5,15H2,1H3.
What are the key properties of [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 391.13 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 107979313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).