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

C25H15Cl3N2O2S — CID 23774708

IUPAC5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=c1c(=Cc2cc(Cl)c(O)c(Cl)c2)sc2n1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N=2
InChIInChI=1S/C25H15Cl3N2O2S/c26-17-8-6-16(7-9-17)21-13-20(15-4-2-1-3-5-15)29-25-30(21)24(32)22(33-25)12-14-10-18(27)23(31)19(28)11-14/h1-13,21,31H
InChIKeyPKAOFOVDUNJKOL-UHFFFAOYSA-N
MW513.83 g/mol
LogP5.67
Rot. Bonds3

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

5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 23774708) has the molecular formula C25H15Cl3N2O2S and a molecular weight of 513.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID23774708
Molecular FormulaC25H15Cl3N2O2S
Molecular Weight513.83 g/mol
Exact Mass511.99
IUPAC Name5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=c1c(=Cc2cc(Cl)c(O)c(Cl)c2)sc2n1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N=2
InChIInChI=1S/C25H15Cl3N2O2S/c26-17-8-6-16(7-9-17)21-13-20(15-4-2-1-3-5-15)29-25-30(21)24(32)22(33-25)12-14-10-18(27)23(31)19(28)11-14/h1-13,21,31H
InChIKeyPKAOFOVDUNJKOL-UHFFFAOYSA-N
XLogP5.67
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.83
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745561
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-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23803796
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)-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
(11R,14E)-11-(4-chlorophenyl)-14-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 124584135
ethyl (2E,5S)-2-[(3-chloro-4-methoxyphenyl)methylidene]-5-(4-chlorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126028348
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
ethyl (2Z,5R)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126007781

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 23774708) is 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=c1c(=Cc2cc(Cl)c(O)c(Cl)c2)sc2n1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N=2.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is PKAOFOVDUNJKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl3N2O2S/c26-17-8-6-16(7-9-17)21-13-20(15-4-2-1-3-5-15)29-25-30(21)24(32)22(33-25)12-14-10-18(27)23(31)19(28)11-14/h1-13,21,31H.
What are the key properties of 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 513.83 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 23774708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).