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

C8H8N2OS — CID 15046473

IUPAC3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C8H8N2OS/c1-5-3-7(11)10-6(2)4-12-8(10)9-5/h3-4H,1-2H3
InChIKeyWJJUAPAXBJUXAU-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.37
Rot. Bonds

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

3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 15046473) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID15046473
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C8H8N2OS/c1-5-3-7(11)10-6(2)4-12-8(10)9-5/h3-4H,1-2H3
InChIKeyWJJUAPAXBJUXAU-UHFFFAOYSA-N
XLogP1.37
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 15046473) is 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WJJUAPAXBJUXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-3-7(11)10-6(2)4-12-8(10)9-5/h3-4H,1-2H3.
What are the key properties of 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 180.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 15046473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).