4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide

C13H15N3O2S — CID 82440233

IUPAC4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide
SMILESCOCc1nc(-c2ccc(C)cc2)sc1C(=O)NN
InChIInChI=1S/C13H15N3O2S/c1-8-3-5-9(6-4-8)13-15-10(7-18-2)11(19-13)12(17)16-14/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyXEHZQBURVCSTDE-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.87
Rot. Bonds4

About 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide

4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82440233) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide
PubChem CID82440233
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide
SMILESCOCc1nc(-c2ccc(C)cc2)sc1C(=O)NN
InChIInChI=1S/C13H15N3O2S/c1-8-3-5-9(6-4-8)13-15-10(7-18-2)11(19-13)12(17)16-14/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyXEHZQBURVCSTDE-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82441216
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
methyl 2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114374866
2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359955
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carbohydrazide
CID 82440072
2-(4-methylphenyl)-4-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227035
methyl 2-(3-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114358841
4-[(4-methylphenoxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226795
2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432630
4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428854

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide (CID 82440233) is 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide is COCc1nc(-c2ccc(C)cc2)sc1C(=O)NN.
What is the InChIKey of 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is XEHZQBURVCSTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-3-5-9(6-4-8)13-15-10(7-18-2)11(19-13)12(17)16-14/h3-6H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide?
4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 277.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82440233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).