(2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid

C12H11NO3S2 — CID 6401014

IUPAC(2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid
SMILESO=C(O)/C(=N/O)c1ccc(CCc2cccs2)s1
InChIInChI=1S/C12H11NO3S2/c14-12(15)11(13-16)10-6-5-9(18-10)4-3-8-2-1-7-17-8/h1-2,5-7,16H,3-4H2,(H,14,15)/b13-11+
InChIKeyASCKXVJOLIHCDM-ACCUITESSA-N
MW281.36 g/mol
LogP2.86
Rot. Bonds5

About (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid

(2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid (PubChem CID 6401014) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid
PubChem CID6401014
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Name(2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid
SMILESO=C(O)/C(=N/O)c1ccc(CCc2cccs2)s1
InChIInChI=1S/C12H11NO3S2/c14-12(15)11(13-16)10-6-5-9(18-10)4-3-8-2-1-7-17-8/h1-2,5-7,16H,3-4H2,(H,14,15)/b13-11+
InChIKeyASCKXVJOLIHCDM-ACCUITESSA-N
XLogP2.86
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.86
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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Related Compounds

1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
CID 90847279
6-thiophen-2-ylhexanamide
CID 137320292
phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate
CID 88702151
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
5-thiophen-2-ylpent-2-enoic acid
CID 71424495
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 91817323
5-thiophen-2-ylpentanehydrazide
CID 70194284

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid?
The IUPAC name of (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid (CID 6401014) is (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid?
The canonical SMILES for (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid is O=C(O)/C(=N/O)c1ccc(CCc2cccs2)s1.
What is the InChIKey of (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid?
The InChIKey is ASCKXVJOLIHCDM-ACCUITESSA-N. The full InChI is InChI=1S/C12H11NO3S2/c14-12(15)11(13-16)10-6-5-9(18-10)4-3-8-2-1-7-17-8/h1-2,5-7,16H,3-4H2,(H,14,15)/b13-11+.
What are the key properties of (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid?
(2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-2-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 6401014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).