2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid

C8H9N3O2S — CID 145069900

IUPAC2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid
SMILES[H]/N=C/C=N\Nc1sc(C)cc1C(=O)O
InChIInChI=1S/C8H9N3O2S/c1-5-4-6(8(12)13)7(14-5)11-10-3-2-9/h2-4,9,11H,1H3,(H,12,13)/b9-2+,10-3-
InChIKeyKPALZKVWRPKCRW-JVXBWXHNSA-N
MW211.25 g/mol
LogP1.80
Rot. Bonds4

About 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid

2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid (PubChem CID 145069900) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid
PubChem CID145069900
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid
SMILES[H]/N=C/C=N\Nc1sc(C)cc1C(=O)O
InChIInChI=1S/C8H9N3O2S/c1-5-4-6(8(12)13)7(14-5)11-10-3-2-9/h2-4,9,11H,1H3,(H,12,13)/b9-2+,10-3-
InChIKeyKPALZKVWRPKCRW-JVXBWXHNSA-N
XLogP1.80
TPSA85.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid (CID 145069900) is 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid is [H]/N=C/C=N\Nc1sc(C)cc1C(=O)O.
What is the InChIKey of 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid?
The InChIKey is KPALZKVWRPKCRW-JVXBWXHNSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-5-4-6(8(12)13)7(14-5)11-10-3-2-9/h2-4,9,11H,1H3,(H,12,13)/b9-2+,10-3-.
What are the key properties of 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid?
2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid has a molecular weight of 211.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 145069900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).