4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide

C13H15N3O2S — CID 55213006

IUPAC4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1cccc(C)c1OCc1csc(C(=O)NN)n1
InChIInChI=1S/C13H15N3O2S/c1-8-4-3-5-9(2)11(8)18-6-10-7-19-13(15-10)12(17)16-14/h3-5,7H,6,14H2,1-2H3,(H,16,17)
InChIKeyCVCNARIPBUHHFP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.94
Rot. Bonds4

About 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide

4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 55213006) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID55213006
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1cccc(C)c1OCc1csc(C(=O)NN)n1
InChIInChI=1S/C13H15N3O2S/c1-8-4-3-5-9(2)11(8)18-6-10-7-19-13(15-10)12(17)16-14/h3-5,7H,6,14H2,1-2H3,(H,16,17)
InChIKeyCVCNARIPBUHHFP-UHFFFAOYSA-N
XLogP1.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.94
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-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213802
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63570853
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63569329
4-[(4-acetyl-3-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107718996
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63577602
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 55213006) is 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide is Cc1cccc(C)c1OCc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is CVCNARIPBUHHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-4-3-5-9(2)11(8)18-6-10-7-19-13(15-10)12(17)16-14/h3-5,7H,6,14H2,1-2H3,(H,16,17).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 277.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 55213006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).