[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine

C12H23N3OS — CID 105273954

IUPAC[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
SMILESCCOC(C)(C)C(Cc1nc(C)c(C)s1)NN
InChIInChI=1S/C12H23N3OS/c1-6-16-12(4,5)10(15-13)7-11-14-8(2)9(3)17-11/h10,15H,6-7,13H2,1-5H3
InChIKeyAKVQINOFJUHNBJ-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.95
Rot. Bonds6

About [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine (PubChem CID 105273954) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
PubChem CID105273954
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
SMILESCCOC(C)(C)C(Cc1nc(C)c(C)s1)NN
InChIInChI=1S/C12H23N3OS/c1-6-16-12(4,5)10(15-13)7-11-14-8(2)9(3)17-11/h10,15H,6-7,13H2,1-5H3
InChIKeyAKVQINOFJUHNBJ-UHFFFAOYSA-N
XLogP1.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.95
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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240784
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-yl]hydrazine
CID 105241262
[1-(3,5-dimethylphenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274027
[1-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethoxypropan-2-yl]hydrazine
CID 105272985
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3-diethyl-3-methoxypentan-2-amine
CID 116761111
[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274246
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726484
[1-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxypropan-2-yl]hydrazine
CID 105272640
[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 103170711
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159932
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine
CID 103028643
[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274087

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine (CID 105273954) is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine is CCOC(C)(C)C(Cc1nc(C)c(C)s1)NN.
What is the InChIKey of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The InChIKey is AKVQINOFJUHNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-6-16-12(4,5)10(15-13)7-11-14-8(2)9(3)17-11/h10,15H,6-7,13H2,1-5H3.
What are the key properties of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine has a molecular weight of 257.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105273954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).