5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C25H16Cl2N2OS — CID 23745561

IUPAC5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=c1c(=Cc2ccc(Cl)cc2)sc2n1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N=2
InChIInChI=1S/C25H16Cl2N2OS/c26-19-10-6-16(7-11-19)14-23-24(30)29-22(18-8-12-20(27)13-9-18)15-21(28-25(29)31-23)17-4-2-1-3-5-17/h1-15,22H
InChIKeyJSFOYLAUGVMOOC-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.31
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 23745561) has the molecular formula C25H16Cl2N2OS and a molecular weight of 463.39 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID23745561
Molecular FormulaC25H16Cl2N2OS
Molecular Weight463.39 g/mol
Exact Mass462.04
IUPAC Name5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=c1c(=Cc2ccc(Cl)cc2)sc2n1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N=2
InChIInChI=1S/C25H16Cl2N2OS/c26-19-10-6-16(7-11-19)14-23-24(30)29-22(18-8-12-20(27)13-9-18)15-21(28-25(29)31-23)17-4-2-1-3-5-17/h1-15,22H
InChIKeyJSFOYLAUGVMOOC-UHFFFAOYSA-N
XLogP5.31
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23944728
5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23774708
5-(4-chlorophenyl)-7-phenyl-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23832585
5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23803796
5-(4-chlorophenyl)-7-phenyl-2-[(3-prop-2-enoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745560
5-(4-bromophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23861011
5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745566
5-(4-bromophenyl)-7-phenyl-2-[(2-propan-2-yloxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23861014
(2E,9Z)-2-benzylidene-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 75408833
5-(4-bromophenyl)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23916795
(2E)-2-[(4-chlorophenyl)methylidene]-5-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 6384196
ethyl (5R)-5-(4-chlorophenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129441696

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 23745561) is 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=c1c(=Cc2ccc(Cl)cc2)sc2n1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N=2.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is JSFOYLAUGVMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2OS/c26-19-10-6-16(7-11-19)14-23-24(30)29-22(18-8-12-20(27)13-9-18)15-21(28-25(29)31-23)17-4-2-1-3-5-17/h1-15,22H.
What are the key properties of 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 463.39 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 23745561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).