3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H11N3O2S — CID 54400945

IUPAC3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCNc1cnc2n(c1=O)C(C(C)=O)CS2
InChIInChI=1S/C9H11N3O2S/c1-5(13)7-4-15-9-11-3-6(10-2)8(14)12(7)9/h3,7,10H,4H2,1-2H3
InChIKeyVNJNZFGQPLQXSO-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.52
Rot. Bonds2

About 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 54400945) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID54400945
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCNc1cnc2n(c1=O)C(C(C)=O)CS2
InChIInChI=1S/C9H11N3O2S/c1-5(13)7-4-15-9-11-3-6(10-2)8(14)12(7)9/h3,7,10H,4H2,1-2H3
InChIKeyVNJNZFGQPLQXSO-UHFFFAOYSA-N
XLogP0.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 54400945) is 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CNc1cnc2n(c1=O)C(C(C)=O)CS2.
What is the InChIKey of 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VNJNZFGQPLQXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-5(13)7-4-15-9-11-3-6(10-2)8(14)12(7)9/h3,7,10H,4H2,1-2H3.
What are the key properties of 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 225.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 54400945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).