(2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile

C11H7N3OS — CID 135513624

IUPAC(2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
SMILESN#C/C(=N\O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H7N3OS/c12-6-9(14-15)11-13-10(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H/b14-9+
InChIKeyLFKRLVXIDDBPMG-NTEUORMPSA-N
MW229.26 g/mol
LogP2.51
Rot. Bonds2

About (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile

(2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 135513624) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID135513624
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name(2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
SMILESN#C/C(=N\O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H7N3OS/c12-6-9(14-15)11-13-10(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H/b14-9+
InChIKeyLFKRLVXIDDBPMG-NTEUORMPSA-N
XLogP2.51
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile (CID 135513624) is (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile is N#C/C(=N\O)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is LFKRLVXIDDBPMG-NTEUORMPSA-N. The full InChI is InChI=1S/C11H7N3OS/c12-6-9(14-15)11-13-10(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H/b14-9+.
What are the key properties of (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile?
(2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 229.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 135513624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).