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

C18H11ClN2OS — CID 630853

IUPAC3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccccc2)nc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C18H11ClN2OS/c19-14-8-6-13(7-9-14)16-11-23-18-20-15(10-17(22)21(16)18)12-4-2-1-3-5-12/h1-11H
InChIKeyAWHIFVHUFKQMNB-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.74
Rot. Bonds2

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

3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 630853) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID630853
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccccc2)nc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C18H11ClN2OS/c19-14-8-6-13(7-9-14)16-11-23-18-20-15(10-17(22)21(16)18)12-4-2-1-3-5-12/h1-11H
InChIKeyAWHIFVHUFKQMNB-UHFFFAOYSA-N
XLogP4.74
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Chloromethyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2363746
3-(4-Chlorophenyl)-7-methyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 319068
2-[(4-chlorobenzyl)thio]-6-phenyl-4(3H)-pyrimidinone
CID 135450344
2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile
CID 135816287
3-(4-Chlorophenyl)-7-methyl-6-propyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 330530
4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 71528575
(5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5892306
2-((2-chlorobenzyl)thio)-6-phenylpyrimidin-4(3H)-one
CID 135401798
2-[(4-Chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155413
1-Benzyl-2-benzylsulfanyl-4-(4-chlorophenyl)-6-oxopyrimidine-5-carbonitrile
CID 15920801
7-({[(4-Chlorophenyl)methyl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 20873953
6-(4-Chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 49846002

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 630853) is 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(-c2ccccc2)nc2scc(-c3ccc(Cl)cc3)n12.
What is the InChIKey of 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AWHIFVHUFKQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-14-8-6-13(7-9-14)16-11-23-18-20-15(10-17(22)21(16)18)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 338.82 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 630853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).