7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one

C12H8Cl2N4OS2 — CID 134094820

IUPAC7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one
SMILESCSc1nc2nc(=O)n(-c3ccc(Cl)c(Cl)c3)c(N)c2s1
InChIInChI=1S/C12H8Cl2N4OS2/c1-20-12-17-10-8(21-12)9(15)18(11(19)16-10)5-2-3-6(13)7(14)4-5/h2-4H,15H2,1H3
InChIKeyZRTAHQOUXYWQOT-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.45
Rot. Bonds2

About 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one

7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one (PubChem CID 134094820) has the molecular formula C12H8Cl2N4OS2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one
PubChem CID134094820
Molecular FormulaC12H8Cl2N4OS2
Molecular Weight359.26 g/mol
Exact Mass357.95
IUPAC Name7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one
SMILESCSc1nc2nc(=O)n(-c3ccc(Cl)c(Cl)c3)c(N)c2s1
InChIInChI=1S/C12H8Cl2N4OS2/c1-20-12-17-10-8(21-12)9(15)18(11(19)16-10)5-2-3-6(13)7(14)4-5/h2-4H,15H2,1H3
InChIKeyZRTAHQOUXYWQOT-UHFFFAOYSA-N
XLogP3.45
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one?
The IUPAC name of 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one (CID 134094820) is 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one?
The canonical SMILES for 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one is CSc1nc2nc(=O)n(-c3ccc(Cl)c(Cl)c3)c(N)c2s1.
What is the InChIKey of 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one?
The InChIKey is ZRTAHQOUXYWQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4OS2/c1-20-12-17-10-8(21-12)9(15)18(11(19)16-10)5-2-3-6(13)7(14)4-5/h2-4H,15H2,1H3.
What are the key properties of 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one?
7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one has a molecular weight of 359.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(3,4-dichlorophenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 134094820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).