5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid

C12H11N3O3S — CID 153401692

IUPAC5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NN=Cc2ccccc2O)c1C(=O)O
InChIInChI=1S/C12H11N3O3S/c1-7-10(12(17)18)11(19-15-7)14-13-6-8-4-2-3-5-9(8)16/h2-6,14,16H,1H3,(H,17,18)
InChIKeyWKBCOZSJDAJOEZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.30
Rot. Bonds4

About 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 153401692) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID153401692
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NN=Cc2ccccc2O)c1C(=O)O
InChIInChI=1S/C12H11N3O3S/c1-7-10(12(17)18)11(19-15-7)14-13-6-8-4-2-3-5-9(8)16/h2-6,14,16H,1H3,(H,17,18)
InChIKeyWKBCOZSJDAJOEZ-UHFFFAOYSA-N
XLogP2.30
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 153401692) is 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NN=Cc2ccccc2O)c1C(=O)O.
What is the InChIKey of 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is WKBCOZSJDAJOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7-10(12(17)18)11(19-15-7)14-13-6-8-4-2-3-5-9(8)16/h2-6,14,16H,1H3,(H,17,18).
What are the key properties of 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 153401692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).