[1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

C16H23N3S — CID 105316152

IUPAC[1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2ccccc2C(C)(C)C)cs1
InChIInChI=1S/C16H23N3S/c1-11-18-12(10-20-11)9-15(19-17)13-7-5-6-8-14(13)16(2,3)4/h5-8,10,15,19H,9,17H2,1-4H3
InChIKeyWNABKQPNKGELPQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.50
Rot. Bonds4

About [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

[1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105316152) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105316152
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name[1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2ccccc2C(C)(C)C)cs1
InChIInChI=1S/C16H23N3S/c1-11-18-12(10-20-11)9-15(19-17)13-7-5-6-8-14(13)16(2,3)4/h5-8,10,15,19H,9,17H2,1-4H3
InChIKeyWNABKQPNKGELPQ-UHFFFAOYSA-N
XLogP3.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316230
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251888
[1-(2-methylquinolin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316184
[1-(5-chloro-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316256
[1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316235
[2-(2-methyl-1,3-thiazol-4-yl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253862
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
4-[1-hydrazinyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105316088
[1-(3-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214571
[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316196
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316164
[2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105316117

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (CID 105316152) is [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is Cc1nc(CC(NN)c2ccccc2C(C)(C)C)cs1.
What is the InChIKey of [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is WNABKQPNKGELPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11-18-12(10-20-11)9-15(19-17)13-7-5-6-8-14(13)16(2,3)4/h5-8,10,15,19H,9,17H2,1-4H3.
What are the key properties of [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
[1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine has a molecular weight of 289.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105316152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).