[1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine

C15H21N3OS — CID 105324666

IUPAC[1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCCCCOc1ccc(C(Cc2nccs2)NN)cc1
InChIInChI=1S/C15H21N3OS/c1-2-3-9-19-13-6-4-12(5-7-13)14(18-16)11-15-17-8-10-20-15/h4-8,10,14,18H,2-3,9,11,16H2,1H3
InChIKeyFMOBPOMDKGENMR-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.07
Rot. Bonds8

About [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine

[1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105324666) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105324666
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name[1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCCCCOc1ccc(C(Cc2nccs2)NN)cc1
InChIInChI=1S/C15H21N3OS/c1-2-3-9-19-13-6-4-12(5-7-13)14(18-16)11-15-17-8-10-20-15/h4-8,10,14,18H,2-3,9,11,16H2,1H3
InChIKeyFMOBPOMDKGENMR-UHFFFAOYSA-N
XLogP3.07
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
[1-(4-propoxyphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212522
[1-(3-ethylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324523
[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316582
[1-(4-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105204168
1-(1,3-thiazol-2-yl)undecan-2-ylhydrazine
CID 105324540
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048
[1-(2-methylpyrimidin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105260601
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
CID 105235769
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684

Frequently Asked Questions

What is the IUPAC name of [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine (CID 105324666) is [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine is CCCCOc1ccc(C(Cc2nccs2)NN)cc1.
What is the InChIKey of [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is FMOBPOMDKGENMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-3-9-19-13-6-4-12(5-7-13)14(18-16)11-15-17-8-10-20-15/h4-8,10,14,18H,2-3,9,11,16H2,1H3.
What are the key properties of [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 291.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105324666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).