(E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one

C19H17NO2S — CID 70326976

IUPAC(E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one
SMILESCCC(=O)C/C=C/c1nc(-c2ccccc2)c(-c2ccco2)s1
InChIInChI=1S/C19H17NO2S/c1-2-15(21)10-6-12-17-20-18(14-8-4-3-5-9-14)19(23-17)16-11-7-13-22-16/h3-9,11-13H,2,10H2,1H3/b12-6+
InChIKeyINUAFNWEOQUMRM-WUXMJOGZSA-N
MW323.42 g/mol
LogP5.45
Rot. Bonds6

About (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one

(E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one (PubChem CID 70326976) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one.

Molecular Properties

Compound Name(E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one
PubChem CID70326976
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name(E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one
SMILESCCC(=O)C/C=C/c1nc(-c2ccccc2)c(-c2ccco2)s1
InChIInChI=1S/C19H17NO2S/c1-2-15(21)10-6-12-17-20-18(14-8-4-3-5-9-14)19(23-17)16-11-7-13-22-16/h3-9,11-13H,2,10H2,1H3/b12-6+
InChIKeyINUAFNWEOQUMRM-WUXMJOGZSA-N
XLogP5.45
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one?
The IUPAC name of (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one (CID 70326976) is (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one.
What is the SMILES notation for (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one?
The canonical SMILES for (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one is CCC(=O)C/C=C/c1nc(-c2ccccc2)c(-c2ccco2)s1.
What is the InChIKey of (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one?
The InChIKey is INUAFNWEOQUMRM-WUXMJOGZSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-2-15(21)10-6-12-17-20-18(14-8-4-3-5-9-14)19(23-17)16-11-7-13-22-16/h3-9,11-13H,2,10H2,1H3/b12-6+.
What are the key properties of (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one?
(E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one has a molecular weight of 323.42 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[5-(furan-2-yl)-4-phenyl-1,3-thiazol-2-yl]hex-5-en-3-one is sourced from PubChem (CID 70326976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).