4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline

C15H21BrN4S — CID 105263391

IUPAC4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline
SMILESCC(C)(C)c1csc(CC(NN)c2cc(Br)ccc2N)n1
InChIInChI=1S/C15H21BrN4S/c1-15(2,3)13-8-21-14(19-13)7-12(20-18)10-6-9(16)4-5-11(10)17/h4-6,8,12,20H,7,17-18H2,1-3H3
InChIKeyHEBRLTZPPPTBID-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.53
Rot. Bonds4

About 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline

4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline (PubChem CID 105263391) has the molecular formula C15H21BrN4S and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline
PubChem CID105263391
Molecular FormulaC15H21BrN4S
Molecular Weight369.33 g/mol
Exact Mass368.07
IUPAC Name4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline
SMILESCC(C)(C)c1csc(CC(NN)c2cc(Br)ccc2N)n1
InChIInChI=1S/C15H21BrN4S/c1-15(2,3)13-8-21-14(19-13)7-12(20-18)10-6-9(16)4-5-11(10)17/h4-6,8,12,20H,7,17-18H2,1-3H3
InChIKeyHEBRLTZPPPTBID-UHFFFAOYSA-N
XLogP3.53
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979295
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946408
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorophenyl)ethyl]hydrazine
CID 105210972
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorofuran-3-yl)ethyl]hydrazine
CID 106694611
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105263590
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196695
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260378
[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326521
1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 105016098
4-bromo-2-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]aniline
CID 81206602
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213765

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline?
The IUPAC name of 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline (CID 105263391) is 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline.
What is the SMILES notation for 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline?
The canonical SMILES for 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline is CC(C)(C)c1csc(CC(NN)c2cc(Br)ccc2N)n1.
What is the InChIKey of 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline?
The InChIKey is HEBRLTZPPPTBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4S/c1-15(2,3)13-8-21-14(19-13)7-12(20-18)10-6-9(16)4-5-11(10)17/h4-6,8,12,20H,7,17-18H2,1-3H3.
What are the key properties of 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline?
4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline has a molecular weight of 369.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline is sourced from PubChem (CID 105263391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).