[2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine

C13H18N4S — CID 105297243

IUPAC[2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
SMILESCC(C)c1ccc(CC(NN)c2cnsn2)cc1
InChIInChI=1S/C13H18N4S/c1-9(2)11-5-3-10(4-6-11)7-12(16-14)13-8-15-18-17-13/h3-6,8-9,12,16H,7,14H2,1-2H3
InChIKeySZKJODBAUOJZNO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.41
Rot. Bonds5

About [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine

[2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine (PubChem CID 105297243) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
PubChem CID105297243
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name[2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
SMILESCC(C)c1ccc(CC(NN)c2cnsn2)cc1
InChIInChI=1S/C13H18N4S/c1-9(2)11-5-3-10(4-6-11)7-12(16-14)13-8-15-18-17-13/h3-6,8-9,12,16H,7,14H2,1-2H3
InChIKeySZKJODBAUOJZNO-UHFFFAOYSA-N
XLogP2.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 105284217
[1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 103375631
[2-(4-propan-2-ylphenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine
CID 105254254
[2-(3-bromophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 105284531
[1-(6-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297239
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
[1-(1,2,5-thiadiazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105331988
[1-(3,5-dimethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105266265
[1-(2-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297269
[2-(1-methylindazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 105318162
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103043497
[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 106271658

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine (CID 105297243) is [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine is CC(C)c1ccc(CC(NN)c2cnsn2)cc1.
What is the InChIKey of [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine?
The InChIKey is SZKJODBAUOJZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)11-5-3-10(4-6-11)7-12(16-14)13-8-15-18-17-13/h3-6,8-9,12,16H,7,14H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine?
[2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine has a molecular weight of 262.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105297243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).