4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide

C13H15N3O2S — CID 63574785

IUPAC4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCc1ccc(OCc2csc(C(=O)NN)n2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-9-3-5-11(6-4-9)18-7-10-8-19-13(15-10)12(17)16-14/h3-6,8H,2,7,14H2,1H3,(H,16,17)
InChIKeyXABPPLHHVBOFJY-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.89
Rot. Bonds5

About 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide

4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63574785) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63574785
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCc1ccc(OCc2csc(C(=O)NN)n2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-9-3-5-11(6-4-9)18-7-10-8-19-13(15-10)12(17)16-14/h3-6,8H,2,7,14H2,1H3,(H,16,17)
InChIKeyXABPPLHHVBOFJY-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

4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63570853
4-[(4-acetyl-3-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107718996
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213802
2-[2-[2-(4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159479
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 131747491
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
4-[(2-chloro-4-cyanophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575239

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 63574785) is 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide is CCc1ccc(OCc2csc(C(=O)NN)n2)cc1.
What is the InChIKey of 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is XABPPLHHVBOFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-9-3-5-11(6-4-9)18-7-10-8-19-13(15-10)12(17)16-14/h3-6,8H,2,7,14H2,1H3,(H,16,17).
What are the key properties of 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-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 4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63574785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).