6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C19H13Cl2N3OS2 — CID 69441706

IUPAC6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2scnc2nc(SCCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2N3OS2/c20-13-3-1-12(2-4-13)9-10-26-19-23-17-16(27-11-22-17)18(25)24(19)15-7-5-14(21)6-8-15/h1-8,11H,9-10H2
InChIKeyJGNPFZLIQKXXNA-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.48
Rot. Bonds5

About 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one

6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 69441706) has the molecular formula C19H13Cl2N3OS2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID69441706
Molecular FormulaC19H13Cl2N3OS2
Molecular Weight434.37 g/mol
Exact Mass432.99
IUPAC Name6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2scnc2nc(SCCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2N3OS2/c20-13-3-1-12(2-4-13)9-10-26-19-23-17-16(27-11-22-17)18(25)24(19)15-7-5-14(21)6-8-15/h1-8,11H,9-10H2
InChIKeyJGNPFZLIQKXXNA-UHFFFAOYSA-N
XLogP5.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 3475181
6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
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3-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 69441706) is 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1c2scnc2nc(SCCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is JGNPFZLIQKXXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3OS2/c20-13-3-1-12(2-4-13)9-10-26-19-23-17-16(27-11-22-17)18(25)24(19)15-7-5-14(21)6-8-15/h1-8,11H,9-10H2.
What are the key properties of 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 434.37 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 69441706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).