7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C8H8N2O2S — CID 135667585

IUPAC7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(O)nc2scc(C)n2c1=O
InChIInChI=1S/C8H8N2O2S/c1-4-3-13-8-9-6(11)5(2)7(12)10(4)8/h3,11H,1-2H3
InChIKeyXROILIIWNOHSHA-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.08
Rot. Bonds

About 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135667585) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135667585
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(O)nc2scc(C)n2c1=O
InChIInChI=1S/C8H8N2O2S/c1-4-3-13-8-9-6(11)5(2)7(12)10(4)8/h3,11H,1-2H3
InChIKeyXROILIIWNOHSHA-UHFFFAOYSA-N
XLogP1.08
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135667585) is 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1c(O)nc2scc(C)n2c1=O.
What is the InChIKey of 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XROILIIWNOHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-4-3-13-8-9-6(11)5(2)7(12)10(4)8/h3,11H,1-2H3.
What are the key properties of 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 196.23 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135667585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).