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

C7H8N2OS — CID 641854

IUPAC7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2
InChIInChI=1S/C7H8N2OS/c1-5-4-6(10)9-2-3-11-7(9)8-5/h4H,2-3H2,1H3
InChIKeyXVTANWUGQJTFBY-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.66
Rot. Bonds

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

7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 641854) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID641854
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2
InChIInChI=1S/C7H8N2OS/c1-5-4-6(10)9-2-3-11-7(9)8-5/h4H,2-3H2,1H3
InChIKeyXVTANWUGQJTFBY-UHFFFAOYSA-N
XLogP0.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 641854) is 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)SCC2.
What is the InChIKey of 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XVTANWUGQJTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5-4-6(10)9-2-3-11-7(9)8-5/h4H,2-3H2,1H3.
What are the key properties of 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 168.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 641854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).