3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H6Cl2N2OS — CID 164588860

IUPAC3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2scc(-c3ccc(Cl)c(Cl)c3)n12
InChIInChI=1S/C12H6Cl2N2OS/c13-8-2-1-7(5-9(8)14)10-6-18-12-15-4-3-11(17)16(10)12/h1-6H
InChIKeyPTXGQBQRRIPKFC-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.73
Rot. Bonds1

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

3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 164588860) has the molecular formula C12H6Cl2N2OS and a molecular weight of 297.17 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID164588860
Molecular FormulaC12H6Cl2N2OS
Molecular Weight297.17 g/mol
Exact Mass295.96
IUPAC Name3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2scc(-c3ccc(Cl)c(Cl)c3)n12
InChIInChI=1S/C12H6Cl2N2OS/c13-8-2-1-7(5-9(8)14)10-6-18-12-15-4-3-11(17)16(10)12/h1-6H
InChIKeyPTXGQBQRRIPKFC-UHFFFAOYSA-N
XLogP3.73
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 164588860) is 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2scc(-c3ccc(Cl)c(Cl)c3)n12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PTXGQBQRRIPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS/c13-8-2-1-7(5-9(8)14)10-6-18-12-15-4-3-11(17)16(10)12/h1-6H.
What are the key properties of 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 297.17 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 164588860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).