[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

C16H23N3S — CID 105214792

IUPAC[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2cccc(CC(C)C)c2)cs1
InChIInChI=1S/C16H23N3S/c1-11(2)7-13-5-4-6-14(8-13)16(19-17)9-15-10-20-12(3)18-15/h4-6,8,10-11,16,19H,7,9,17H2,1-3H3
InChIKeyRPYBBAPUZLOYFX-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.40
Rot. Bonds6

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

[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105214792) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105214792
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2cccc(CC(C)C)c2)cs1
InChIInChI=1S/C16H23N3S/c1-11(2)7-13-5-4-6-14(8-13)16(19-17)9-15-10-20-12(3)18-15/h4-6,8,10-11,16,19H,7,9,17H2,1-3H3
InChIKeyRPYBBAPUZLOYFX-UHFFFAOYSA-N
XLogP3.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.40
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-(3-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214571
[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105214746
[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316087
[1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316235
[1-(4-methoxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105258441
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105214788
[2-(3-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethyl]hydrazine
CID 105195073
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316122
4-[1-hydrazinyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105316088
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316164
[3-methyl-1-[3-(2-methylpropyl)phenyl]pentyl]hydrazine
CID 105340703
[1-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316230

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (CID 105214792) is [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is Cc1nc(CC(NN)c2cccc(CC(C)C)c2)cs1.
What is the InChIKey of [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is RPYBBAPUZLOYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11(2)7-13-5-4-6-14(8-13)16(19-17)9-15-10-20-12(3)18-15/h4-6,8,10-11,16,19H,7,9,17H2,1-3H3.
What are the key properties of [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine has a molecular weight of 289.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105214792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).