2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol

C17H16N2OS — CID 829363

IUPAC2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol
SMILESOCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H16N2OS/c20-12-11-19-16(14-7-3-1-4-8-14)13-21-17(19)18-15-9-5-2-6-10-15/h1-10,13,20H,11-12H2/b18-17-
InChIKeyQDKCYPHNQUMLHV-ZCXUNETKSA-N
MW296.40 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol

2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol (PubChem CID 829363) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol
PubChem CID829363
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol
SMILESOCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H16N2OS/c20-12-11-19-16(14-7-3-1-4-8-14)13-21-17(19)18-15-9-5-2-6-10-15/h1-10,13,20H,11-12H2/b18-17-
InChIKeyQDKCYPHNQUMLHV-ZCXUNETKSA-N
XLogP3.44
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol?
The IUPAC name of 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol (CID 829363) is 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol.
What is the SMILES notation for 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol?
The canonical SMILES for 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol is OCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol?
The InChIKey is QDKCYPHNQUMLHV-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-12-11-19-16(14-7-3-1-4-8-14)13-21-17(19)18-15-9-5-2-6-10-15/h1-10,13,20H,11-12H2/b18-17-.
What are the key properties of 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol?
2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol has a molecular weight of 296.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol is sourced from PubChem (CID 829363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).