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

C13H15N3O2S — CID 82422937

IUPAC2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(OCc2ncc(C(=O)NN)s2)c(C)c1
InChIInChI=1S/C13H15N3O2S/c1-8-3-4-10(9(2)5-8)18-7-12-15-6-11(19-12)13(17)16-14/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyODUXEQRHEJFZJN-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.94
Rot. Bonds4

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

2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82422937) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82422937
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(OCc2ncc(C(=O)NN)s2)c(C)c1
InChIInChI=1S/C13H15N3O2S/c1-8-3-4-10(9(2)5-8)18-7-12-15-6-11(19-12)13(17)16-14/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyODUXEQRHEJFZJN-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

2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422860
3-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82422936
(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate
CID 174954354
2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422835
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82422922
3-bromo-4-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 102774285
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82428952
2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853917
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575986
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003298
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (CID 82422937) is 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is Cc1ccc(OCc2ncc(C(=O)NN)s2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is ODUXEQRHEJFZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-3-4-10(9(2)5-8)18-7-12-15-6-11(19-12)13(17)16-14/h3-6H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-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 2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82422937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).