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

C18H13NO2S — CID 163050348

IUPAC1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(C=Cc1csc(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C18H13NO2S/c20-16-9-6-13(7-10-16)17(21)11-8-15-12-22-18(19-15)14-4-2-1-3-5-14/h1-12,20H
InChIKeyQORCOCBUUGZTBP-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.41
Rot. Bonds4

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

1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one (PubChem CID 163050348) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one
PubChem CID163050348
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(C=Cc1csc(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C18H13NO2S/c20-16-9-6-13(7-10-16)17(21)11-8-15-12-22-18(19-15)14-4-2-1-3-5-14/h1-12,20H
InChIKeyQORCOCBUUGZTBP-UHFFFAOYSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one (CID 163050348) is 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one is O=C(C=Cc1csc(-c2ccccc2)n1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The InChIKey is QORCOCBUUGZTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c20-16-9-6-13(7-10-16)17(21)11-8-15-12-22-18(19-15)14-4-2-1-3-5-14/h1-12,20H.
What are the key properties of 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one?
1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one has a molecular weight of 307.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 163050348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).