[2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine

C13H17N3OS — CID 163266043

IUPAC[2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine
SMILESCCc1ccc(-c2scnc2C)cc1OCNN
InChIInChI=1S/C13H17N3OS/c1-3-10-4-5-11(6-12(10)17-7-16-14)13-9(2)15-8-18-13/h4-6,8,16H,3,7,14H2,1-2H3
InChIKeyULDMZVXEAMKZQY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.48
Rot. Bonds5

About [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine

[2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine (PubChem CID 163266043) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine.

Molecular Properties

Compound Name[2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine
PubChem CID163266043
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine
SMILESCCc1ccc(-c2scnc2C)cc1OCNN
InChIInChI=1S/C13H17N3OS/c1-3-10-4-5-11(6-12(10)17-7-16-14)13-9(2)15-8-18-13/h4-6,8,16H,3,7,14H2,1-2H3
InChIKeyULDMZVXEAMKZQY-UHFFFAOYSA-N
XLogP2.48
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole
CID 163734246
3-(4-methyl-1,3-thiazol-5-yl)aniline
CID 165438455
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
2-[(ethynylamino)methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenol
CID 174303519
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
5-(4-ethyl-3-methoxyphenyl)-2,4-dimethyl-1,3-thiazole
CID 90292646
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
CID 142573108
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
(1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine
CID 155390909
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine?
The IUPAC name of [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine (CID 163266043) is [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine.
What is the SMILES notation for [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine?
The canonical SMILES for [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine is CCc1ccc(-c2scnc2C)cc1OCNN.
What is the InChIKey of [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine?
The InChIKey is ULDMZVXEAMKZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-10-4-5-11(6-12(10)17-7-16-14)13-9(2)15-8-18-13/h4-6,8,16H,3,7,14H2,1-2H3.
What are the key properties of [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine?
[2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine has a molecular weight of 263.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine is sourced from PubChem (CID 163266043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).