(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol

C17H14N2O2S — CID 135511137

IUPAC(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol
SMILESO/C(=C\c1ccc(OCc2ccccc2)cn1)c1nccs1
InChIInChI=1S/C17H14N2O2S/c20-16(17-18-8-9-22-17)10-14-6-7-15(11-19-14)21-12-13-4-2-1-3-5-13/h1-11,20H,12H2/b16-10-
InChIKeyWKJJZSAHRWEBTP-YBEGLDIGSA-N
MW310.38 g/mol
LogP4.17
Rot. Bonds5

About (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol

(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol (PubChem CID 135511137) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol.

Molecular Properties

Compound Name(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol
PubChem CID135511137
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol
SMILESO/C(=C\c1ccc(OCc2ccccc2)cn1)c1nccs1
InChIInChI=1S/C17H14N2O2S/c20-16(17-18-8-9-22-17)10-14-6-7-15(11-19-14)21-12-13-4-2-1-3-5-13/h1-11,20H,12H2/b16-10-
InChIKeyWKJJZSAHRWEBTP-YBEGLDIGSA-N
XLogP4.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol?
The IUPAC name of (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol (CID 135511137) is (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol.
What is the SMILES notation for (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol?
The canonical SMILES for (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol is O/C(=C\c1ccc(OCc2ccccc2)cn1)c1nccs1.
What is the InChIKey of (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol?
The InChIKey is WKJJZSAHRWEBTP-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-16(17-18-8-9-22-17)10-14-6-7-15(11-19-14)21-12-13-4-2-1-3-5-13/h1-11,20H,12H2/b16-10-.
What are the key properties of (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol?
(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol has a molecular weight of 310.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1,3-thiazol-2-yl)ethenol is sourced from PubChem (CID 135511137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).