[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C13H17N3O2S — CID 107668167

IUPAC[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCCc1ccc(OCc2cnc(NN)s2)c(OC)c1
InChIInChI=1S/C13H17N3O2S/c1-3-9-4-5-11(12(6-9)17-2)18-8-10-7-15-13(16-14)19-10/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyUMZWDIGMERSFMF-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.58
Rot. Bonds6

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

[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 107668167) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID107668167
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCCc1ccc(OCc2cnc(NN)s2)c(OC)c1
InChIInChI=1S/C13H17N3O2S/c1-3-9-4-5-11(12(6-9)17-2)18-8-10-7-15-13(16-14)19-10/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyUMZWDIGMERSFMF-UHFFFAOYSA-N
XLogP2.58
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765829
[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765055
[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668
[5-[(2-bromo-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764417
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765304
2-(4-ethyl-2-methoxyphenoxy)-1,3-thiazol-5-amine
CID 107663780
N-[[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 107668507
2-amino-3-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl]propanoic acid
CID 170879351
3-[(4-ethyl-2-methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 107668802
2-chloro-4-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 113341586

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 107668167) is [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is CCc1ccc(OCc2cnc(NN)s2)c(OC)c1.
What is the InChIKey of [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is UMZWDIGMERSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-9-4-5-11(12(6-9)17-2)18-8-10-7-15-13(16-14)19-10/h4-7H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 279.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 107668167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).