4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide

C14H17N3O2S — CID 82428854

IUPAC4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1nc(COc2ccc(C)cc2)sc1C(=O)NN
InChIInChI=1S/C14H17N3O2S/c1-3-11-13(14(18)17-15)20-12(16-11)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8,15H2,1-2H3,(H,17,18)
InChIKeyOJRBYXZTSDXGII-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.20
Rot. Bonds5

About 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide

4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82428854) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82428854
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1nc(COc2ccc(C)cc2)sc1C(=O)NN
InChIInChI=1S/C14H17N3O2S/c1-3-11-13(14(18)17-15)20-12(16-11)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8,15H2,1-2H3,(H,17,18)
InChIKeyOJRBYXZTSDXGII-UHFFFAOYSA-N
XLogP2.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.20
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-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431851
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428920
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
4-ethyl-2-[(4-ethylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82428859
2-[(4-fluorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434266
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide
CID 82428450
N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753393
4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
CID 82429378
4-methyl-2-[(4-methylphenoxy)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 30587985

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (CID 82428854) is 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is CCc1nc(COc2ccc(C)cc2)sc1C(=O)NN.
What is the InChIKey of 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is OJRBYXZTSDXGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-11-13(14(18)17-15)20-12(16-11)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8,15H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82428854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).