1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one

C19H15NO2S — CID 72685777

IUPAC1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)C=Cc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H15NO2S/c1-22-16-9-5-8-15(12-16)18(21)10-11-19-20-17(13-23-19)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyWFHDIHNNLZWTLC-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.71
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one

1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one (PubChem CID 72685777) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
PubChem CID72685777
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)C=Cc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H15NO2S/c1-22-16-9-5-8-15(12-16)18(21)10-11-19-20-17(13-23-19)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyWFHDIHNNLZWTLC-UHFFFAOYSA-N
XLogP4.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9028030
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
CID 72692960
5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 51135007
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
4-[3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzonitrile
CID 78787124
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one (CID 72685777) is 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one is COc1cccc(C(=O)C=Cc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one?
The InChIKey is WFHDIHNNLZWTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c1-22-16-9-5-8-15(12-16)18(21)10-11-19-20-17(13-23-19)14-6-3-2-4-7-14/h2-13H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one?
1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one has a molecular weight of 321.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 72685777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).