[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C12H15N3OS — CID 79764668

IUPAC[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCc1ccc(C)c(OCc2cnc(NN)s2)c1
InChIInChI=1S/C12H15N3OS/c1-8-3-4-9(2)11(5-8)16-7-10-6-14-12(15-13)17-10/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyORKAMGJIKQHELF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.62
Rot. Bonds4

About [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764668) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764668
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCc1ccc(C)c(OCc2cnc(NN)s2)c1
InChIInChI=1S/C12H15N3OS/c1-8-3-4-9(2)11(5-8)16-7-10-6-14-12(15-13)17-10/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyORKAMGJIKQHELF-UHFFFAOYSA-N
XLogP2.62
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.62
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

[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107660698
[5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764785
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
5-[(2-fluoro-5-methylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774701
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765055
[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765443
[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 107668167
[5-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764026
[5-(ethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765698
[5-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764794

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79764668) is [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is Cc1ccc(C)c(OCc2cnc(NN)s2)c1.
What is the InChIKey of [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is ORKAMGJIKQHELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-3-4-9(2)11(5-8)16-7-10-6-14-12(15-13)17-10/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 249.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).