[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine

C16H21IN2S — CID 105296570

IUPAC[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
SMILESCC(C)(C)c1ccc(CC(NN)c2csc(I)c2)cc1
InChIInChI=1S/C16H21IN2S/c1-16(2,3)13-6-4-11(5-7-13)8-14(19-18)12-9-15(17)20-10-12/h4-7,9-10,14,19H,8,18H2,1-3H3
InChIKeyNFGVEZJHVUXMOJ-UHFFFAOYSA-N
MW400.33 g/mol
LogP4.40
Rot. Bonds4

About [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine

[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine (PubChem CID 105296570) has the molecular formula C16H21IN2S and a molecular weight of 400.33 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
PubChem CID105296570
Molecular FormulaC16H21IN2S
Molecular Weight400.33 g/mol
Exact Mass400.05
IUPAC Name[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
SMILESCC(C)(C)c1ccc(CC(NN)c2csc(I)c2)cc1
InChIInChI=1S/C16H21IN2S/c1-16(2,3)13-6-4-11(5-7-13)8-14(19-18)12-9-15(17)20-10-12/h4-7,9-10,14,19H,8,18H2,1-3H3
InChIKeyNFGVEZJHVUXMOJ-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105290057
[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296941
[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310370
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
[2-(4-tert-butylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253806
[2-(4-bromophenyl)-1-(5-methylthiophen-3-yl)ethyl]hydrazine
CID 105195665
[2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine
CID 103408502
1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843418
[1-(5-iodothiophen-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105305371
[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066621
[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105297096
[1-(4-tert-butylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209061

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine (CID 105296570) is [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine is CC(C)(C)c1ccc(CC(NN)c2csc(I)c2)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The InChIKey is NFGVEZJHVUXMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2S/c1-16(2,3)13-6-4-11(5-7-13)8-14(19-18)12-9-15(17)20-10-12/h4-7,9-10,14,19H,8,18H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine has a molecular weight of 400.33 g/mol, XLogP of 4.40, 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-(5-iodothiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105296570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).