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

C26H19ClN2OS — CID 23944728

IUPAC5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C=C(c2ccccc2)N=3)cc1
InChIInChI=1S/C26H19ClN2OS/c1-17-7-9-18(10-8-17)15-24-25(30)29-23(20-11-13-21(27)14-12-20)16-22(28-26(29)31-24)19-5-3-2-4-6-19/h2-16,23H,1H3
InChIKeyYUVMSZSFNQYFNR-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.96
Rot. Bonds3

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

5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 23944728) has the molecular formula C26H19ClN2OS and a molecular weight of 442.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID23944728
Molecular FormulaC26H19ClN2OS
Molecular Weight442.97 g/mol
Exact Mass442.09
IUPAC Name5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C=C(c2ccccc2)N=3)cc1
InChIInChI=1S/C26H19ClN2OS/c1-17-7-9-18(10-8-17)15-24-25(30)29-23(20-11-13-21(27)14-12-20)16-22(28-26(29)31-24)19-5-3-2-4-6-19/h2-16,23H,1H3
InChIKeyYUVMSZSFNQYFNR-UHFFFAOYSA-N
XLogP4.96
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[(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-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745566
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)-7-phenyl-2-[(2-propan-2-yloxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23861014
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
(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
ethyl (2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-7-phenyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 21207604
ethyl (2E,5S)-5-(4-chlorophenyl)-2-[[4-(dimethylamino)phenyl]methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98094128

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 23944728) is 5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is Cc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C=C(c2ccccc2)N=3)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is YUVMSZSFNQYFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2OS/c1-17-7-9-18(10-8-17)15-24-25(30)29-23(20-11-13-21(27)14-12-20)16-22(28-26(29)31-24)19-5-3-2-4-6-19/h2-16,23H,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 442.97 g/mol, XLogP of 4.96, 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-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 23944728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).