[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine

C13H25N3OS — CID 105325005

IUPAC[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1nc(C(C)(C)C)cs1)NN
InChIInChI=1S/C13H25N3OS/c1-5-17-7-6-10(16-14)8-12-15-11(9-18-12)13(2,3)4/h9-10,16H,5-8,14H2,1-4H3
InChIKeyZBXCNYHGDBFATH-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.24
Rot. Bonds7

About [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine

[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine (PubChem CID 105325005) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
PubChem CID105325005
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1nc(C(C)(C)C)cs1)NN
InChIInChI=1S/C13H25N3OS/c1-5-17-7-6-10(16-14)8-12-15-11(9-18-12)13(2,3)4/h9-10,16H,5-8,14H2,1-4H3
InChIKeyZBXCNYHGDBFATH-UHFFFAOYSA-N
XLogP2.24
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213765
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195130
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726484
[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105324991
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol
CID 105115643
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954263
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
[4-propoxy-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105324590
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine (CID 105325005) is [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine is CCOCCC(Cc1nc(C(C)(C)C)cs1)NN.
What is the InChIKey of [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine?
The InChIKey is ZBXCNYHGDBFATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-17-7-6-10(16-14)8-12-15-11(9-18-12)13(2,3)4/h9-10,16H,5-8,14H2,1-4H3.
What are the key properties of [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine?
[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine has a molecular weight of 271.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105325005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).