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

C8H8N2OS — CID 22434125

IUPAC2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(C)sc2n1
InChIInChI=1S/C8H8N2OS/c1-5-3-7(11)10-4-6(2)12-8(10)9-5/h3-4H,1-2H3
InChIKeyCWWWTSHTBXXNEW-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.37
Rot. Bonds

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

2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 22434125) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID22434125
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(C)sc2n1
InChIInChI=1S/C8H8N2OS/c1-5-3-7(11)10-4-6(2)12-8(10)9-5/h3-4H,1-2H3
InChIKeyCWWWTSHTBXXNEW-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 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 22434125) is 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2cc(C)sc2n1.
What is the InChIKey of 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CWWWTSHTBXXNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-3-7(11)10-4-6(2)12-8(10)9-5/h3-4H,1-2H3.
What are the key properties of 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2,7-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 2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 22434125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).