2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid

C11H9NO3S2 — CID 6326519

IUPAC2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(/C(=N/O)c2cccs2)s1
InChIInChI=1S/C11H9NO3S2/c13-10(14)6-7-3-4-9(17-7)11(12-15)8-2-1-5-16-8/h1-5,15H,6H2,(H,13,14)/b12-11+
InChIKeyDUINQMGMVVHVGH-VAWYXSNFSA-N
MW267.33 g/mol
LogP2.66
Rot. Bonds4

About 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid

2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid (PubChem CID 6326519) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid
PubChem CID6326519
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Name2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(/C(=N/O)c2cccs2)s1
InChIInChI=1S/C11H9NO3S2/c13-10(14)6-7-3-4-9(17-7)11(12-15)8-2-1-5-16-8/h1-5,15H,6H2,(H,13,14)/b12-11+
InChIKeyDUINQMGMVVHVGH-VAWYXSNFSA-N
XLogP2.66
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid (CID 6326519) is 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(/C(=N/O)c2cccs2)s1.
What is the InChIKey of 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid?
The InChIKey is DUINQMGMVVHVGH-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H9NO3S2/c13-10(14)6-7-3-4-9(17-7)11(12-15)8-2-1-5-16-8/h1-5,15H,6H2,(H,13,14)/b12-11+.
What are the key properties of 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid?
2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 6326519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).