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

C15H19N3O2S — CID 82428920

IUPAC4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1cccc(OCc2nc(CC)c(C(=O)NN)s2)c1
InChIInChI=1S/C15H19N3O2S/c1-3-10-6-5-7-11(8-10)20-9-13-17-12(4-2)14(21-13)15(19)18-16/h5-8H,3-4,9,16H2,1-2H3,(H,18,19)
InChIKeyMSEBQEVHMHCPQM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.45
Rot. Bonds6

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

4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82428920) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82428920
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1cccc(OCc2nc(CC)c(C(=O)NN)s2)c1
InChIInChI=1S/C15H19N3O2S/c1-3-10-6-5-7-11(8-10)20-9-13-17-12(4-2)14(21-13)15(19)18-16/h5-8H,3-4,9,16H2,1-2H3,(H,18,19)
InChIKeyMSEBQEVHMHCPQM-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.45
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-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428854
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431851
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide
CID 82428450
4-ethyl-2-[(4-ethylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82428859
ethyl 2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 53263563
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (CID 82428920) is 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is CCc1cccc(OCc2nc(CC)c(C(=O)NN)s2)c1.
What is the InChIKey of 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is MSEBQEVHMHCPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-10-6-5-7-11(8-10)20-9-13-17-12(4-2)14(21-13)15(19)18-16/h5-8H,3-4,9,16H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 305.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82428920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).