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

C12H13N3O2S — CID 82427094

IUPAC2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NN)s2)cc1
InChIInChI=1S/C12H13N3O2S/c1-7-10(11(16)15-13)18-12(14-7)8-3-5-9(17-2)6-4-8/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyFEZCJZSFDYEGIH-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.73
Rot. Bonds3

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

2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82427094) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID82427094
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NN)s2)cc1
InChIInChI=1S/C12H13N3O2S/c1-7-10(11(16)15-13)18-12(14-7)8-3-5-9(17-2)6-4-8/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyFEZCJZSFDYEGIH-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

2-(4-methoxyphenyl)-4-methyl-N-phenylmethoxy-1,3-thiazole-5-carboxamide
CID 18139180
4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82441216
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide
CID 14772776
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
2-(4-methoxyphenyl)-4-methyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35035442
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
2-(4-methoxyphenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91822345
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24660945

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 82427094) is 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide is COc1ccc(-c2nc(C)c(C(=O)NN)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is FEZCJZSFDYEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-10(11(16)15-13)18-12(14-7)8-3-5-9(17-2)6-4-8/h3-6H,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-(4-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-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82427094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).