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

C11H11N3O2S — CID 82424257

IUPAC2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(-c2ncc(C(=O)NN)s2)cc1
InChIInChI=1S/C11H11N3O2S/c1-16-8-4-2-7(3-5-8)11-13-6-9(17-11)10(15)14-12/h2-6H,12H2,1H3,(H,14,15)
InChIKeyGSPFZIUJGFELBF-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.42
Rot. Bonds3

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

2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82424257) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
PubChem CID82424257
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(-c2ncc(C(=O)NN)s2)cc1
InChIInChI=1S/C11H11N3O2S/c1-16-8-4-2-7(3-5-8)11-13-6-9(17-11)10(15)14-12/h2-6H,12H2,1H3,(H,14,15)
InChIKeyGSPFZIUJGFELBF-UHFFFAOYSA-N
XLogP1.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.42
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

N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 119667279
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 96562479
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 71995102
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215655
N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 99812022
2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119393111
4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82441216
2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119209553

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide (CID 82424257) is 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide is COc1ccc(-c2ncc(C(=O)NN)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is GSPFZIUJGFELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-8-4-2-7(3-5-8)11-13-6-9(17-11)10(15)14-12/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide?
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 249.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82424257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).