2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide

C12H13N3O2S — CID 82427033

IUPAC2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccccc1-c1nc(C)c(C(=O)NN)s1
InChIInChI=1S/C12H13N3O2S/c1-7-10(11(16)15-13)18-12(14-7)8-5-3-4-6-9(8)17-2/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyURPIVWQGGLIDEY-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.73
Rot. Bonds3

About 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide

2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82427033) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID82427033
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccccc1-c1nc(C)c(C(=O)NN)s1
InChIInChI=1S/C12H13N3O2S/c1-7-10(11(16)15-13)18-12(14-7)8-5-3-4-6-9(8)17-2/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyURPIVWQGGLIDEY-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.73
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-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82425590
2-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89469836
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 123351287
2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
CID 110329378
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82427020
2-(2-ethoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432610
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084292
2-[2-[2-(2,3-dimethylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22685107
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 82427033) is 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide is COc1ccccc1-c1nc(C)c(C(=O)NN)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is URPIVWQGGLIDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-10(11(16)15-13)18-12(14-7)8-5-3-4-6-9(8)17-2/h3-6H,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 263.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82427033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).