(Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one

C14H13NO2S — CID 135531506

IUPAC(Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one
SMILESCC(=O)/C(=C(\C)O)c1ncc(-c2ccccc2)s1
InChIInChI=1S/C14H13NO2S/c1-9(16)13(10(2)17)14-15-8-12(18-14)11-6-4-3-5-7-11/h3-8,16H,1-2H3/b13-9-
InChIKeyLOGWZURBLFBVHE-LCYFTJDESA-N
MW259.33 g/mol
LogP3.69
Rot. Bonds3

About (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one

(Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one (PubChem CID 135531506) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one
PubChem CID135531506
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name(Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one
SMILESCC(=O)/C(=C(\C)O)c1ncc(-c2ccccc2)s1
InChIInChI=1S/C14H13NO2S/c1-9(16)13(10(2)17)14-15-8-12(18-14)11-6-4-3-5-7-11/h3-8,16H,1-2H3/b13-9-
InChIKeyLOGWZURBLFBVHE-LCYFTJDESA-N
XLogP3.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one (CID 135531506) is (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one is CC(=O)/C(=C(\C)O)c1ncc(-c2ccccc2)s1.
What is the InChIKey of (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one?
The InChIKey is LOGWZURBLFBVHE-LCYFTJDESA-N. The full InChI is InChI=1S/C14H13NO2S/c1-9(16)13(10(2)17)14-15-8-12(18-14)11-6-4-3-5-7-11/h3-8,16H,1-2H3/b13-9-.
What are the key properties of (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one?
(Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one has a molecular weight of 259.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one is sourced from PubChem (CID 135531506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).