5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid

C14H14N2O2S — CID 8825867

IUPAC5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/Nc1ccccc1C)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H14N2O2S/c1-9-5-3-4-6-11(9)16-15-10(2)12-7-8-13(19-12)14(17)18/h3-8,16H,1-2H3,(H,17,18)/b15-10-
InChIKeyDXIHQNAQVINGQH-GDNBJRDFSA-N
MW274.35 g/mol
LogP3.59
Rot. Bonds4

About 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid

5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid (PubChem CID 8825867) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid
PubChem CID8825867
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/Nc1ccccc1C)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H14N2O2S/c1-9-5-3-4-6-11(9)16-15-10(2)12-7-8-13(19-12)14(17)18/h3-8,16H,1-2H3,(H,17,18)/b15-10-
InChIKeyDXIHQNAQVINGQH-GDNBJRDFSA-N
XLogP3.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid (CID 8825867) is 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid is C/C(=N/Nc1ccccc1C)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid?
The InChIKey is DXIHQNAQVINGQH-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-5-3-4-6-11(9)16-15-10(2)12-7-8-13(19-12)14(17)18/h3-8,16H,1-2H3,(H,17,18)/b15-10-.
What are the key properties of 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid?
5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid has a molecular weight of 274.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 8825867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).