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

C26H19BrN2O2S — CID 23745566

IUPAC5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCOc1ccccc1C=c1sc2n(c1=O)C(c1ccc(Br)cc1)C=C(c1ccccc1)N=2
InChIInChI=1S/C26H19BrN2O2S/c1-31-23-10-6-5-9-19(23)15-24-25(30)29-22(18-11-13-20(27)14-12-18)16-21(28-26(29)32-24)17-7-3-2-4-8-17/h2-16,22H,1H3
InChIKeyIYBQRNFPEPTYPH-UHFFFAOYSA-N
MW503.42 g/mol
LogP4.77
Rot. Bonds4

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

5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 23745566) has the molecular formula C26H19BrN2O2S and a molecular weight of 503.42 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID23745566
Molecular FormulaC26H19BrN2O2S
Molecular Weight503.42 g/mol
Exact Mass502.04
IUPAC Name5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCOc1ccccc1C=c1sc2n(c1=O)C(c1ccc(Br)cc1)C=C(c1ccccc1)N=2
InChIInChI=1S/C26H19BrN2O2S/c1-31-23-10-6-5-9-19(23)15-24-25(30)29-22(18-11-13-20(27)14-12-18)16-21(28-26(29)32-24)17-7-3-2-4-8-17/h2-16,22H,1H3
InChIKeyIYBQRNFPEPTYPH-UHFFFAOYSA-N
XLogP4.77
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-7-phenyl-2-[(2-propan-2-yloxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23861014
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-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745561
5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23803796
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
5-(4-chlorophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23774708
(5R)-5-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 2321594
5-(4-chlorophenyl)-7-phenyl-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23832585
ethyl 2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2853807
ethyl (2E,5S)-2-[(2-methoxyphenyl)methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126004639
5-(4-chlorophenyl)-7-phenyl-2-[(3-prop-2-enoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745560
(5S)-2-(1,3-dithian-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 2468299

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 23745566) is 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is COc1ccccc1C=c1sc2n(c1=O)C(c1ccc(Br)cc1)C=C(c1ccccc1)N=2.
What is the InChIKey of 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is IYBQRNFPEPTYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN2O2S/c1-31-23-10-6-5-9-19(23)15-24-25(30)29-22(18-11-13-20(27)14-12-18)16-21(28-26(29)32-24)17-7-3-2-4-8-17/h2-16,22H,1H3.
What are the key properties of 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 503.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[(2-methoxyphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 23745566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).