[2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine

C17H23ClN2S — CID 103408502

IUPAC[2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine
SMILESCc1csc(C(Cc2ccc(C(C)(C)C)cc2)NN)c1Cl
InChIInChI=1S/C17H23ClN2S/c1-11-10-21-16(15(11)18)14(20-19)9-12-5-7-13(8-6-12)17(2,3)4/h5-8,10,14,20H,9,19H2,1-4H3
InChIKeyADUPKICLFXYTGD-UHFFFAOYSA-N
MW322.91 g/mol
LogP4.75
Rot. Bonds4

About [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine

[2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine (PubChem CID 103408502) has the molecular formula C17H23ClN2S and a molecular weight of 322.91 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine
PubChem CID103408502
Molecular FormulaC17H23ClN2S
Molecular Weight322.91 g/mol
Exact Mass322.13
IUPAC Name[2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine
SMILESCc1csc(C(Cc2ccc(C(C)(C)C)cc2)NN)c1Cl
InChIInChI=1S/C17H23ClN2S/c1-11-10-21-16(15(11)18)14(20-19)9-12-5-7-13(8-6-12)17(2,3)4/h5-8,10,14,20H,9,19H2,1-4H3
InChIKeyADUPKICLFXYTGD-UHFFFAOYSA-N
XLogP4.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.91
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253806
1-(3-chloro-4-methylthiophen-2-yl)hexylhydrazine
CID 103408484
[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105296557
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-chloro-4-methylthiophene
CID 103405763
[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105296570
1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine
CID 103408474
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103402410
1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 103402443
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 103405485
[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310370
[2-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)ethyl]hydrazine
CID 103445951
[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 103408445

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine (CID 103408502) is [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine is Cc1csc(C(Cc2ccc(C(C)(C)C)cc2)NN)c1Cl.
What is the InChIKey of [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine?
The InChIKey is ADUPKICLFXYTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2S/c1-11-10-21-16(15(11)18)14(20-19)9-12-5-7-13(8-6-12)17(2,3)4/h5-8,10,14,20H,9,19H2,1-4H3.
What are the key properties of [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine?
[2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine has a molecular weight of 322.91 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 103408502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).