2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide

C13H15N3O2S — CID 82422860

IUPAC2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1ccccc1OCc1ncc(C(=O)NN)s1
InChIInChI=1S/C13H15N3O2S/c1-2-9-5-3-4-6-10(9)18-8-12-15-7-11(19-12)13(17)16-14/h3-7H,2,8,14H2,1H3,(H,16,17)
InChIKeyOVVALIRJVCTPRB-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.89
Rot. Bonds5

About 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide

2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82422860) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82422860
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1ccccc1OCc1ncc(C(=O)NN)s1
InChIInChI=1S/C13H15N3O2S/c1-2-9-5-3-4-6-10(9)18-8-12-15-7-11(19-12)13(17)16-14/h3-7H,2,8,14H2,1H3,(H,16,17)
InChIKeyOVVALIRJVCTPRB-UHFFFAOYSA-N
XLogP1.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422937
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907
2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422835
2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82424014
2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423897
2-[(2-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422746
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442
2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 141271026
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733698
1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82436492

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (CID 82422860) is 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is CCc1ccccc1OCc1ncc(C(=O)NN)s1.
What is the InChIKey of 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is OVVALIRJVCTPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-9-5-3-4-6-10(9)18-8-12-15-7-11(19-12)13(17)16-14/h3-7H,2,8,14H2,1H3,(H,16,17).
What are the key properties of 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 277.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82422860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).