3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H13N3O2S2 — CID 71710381

IUPAC3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCSCC3)c(=O)n12
InChIInChI=1S/C12H13N3O2S2/c1-8-7-19-12-13-6-9(11(17)15(8)12)10(16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3
InChIKeyVMGQTZAVTULDAB-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.25
Rot. Bonds1

About 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 71710381) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID71710381
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCSCC3)c(=O)n12
InChIInChI=1S/C12H13N3O2S2/c1-8-7-19-12-13-6-9(11(17)15(8)12)10(16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3
InChIKeyVMGQTZAVTULDAB-UHFFFAOYSA-N
XLogP1.25
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 71710381) is 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2ncc(C(=O)N3CCSCC3)c(=O)n12.
What is the InChIKey of 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VMGQTZAVTULDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-8-7-19-12-13-6-9(11(17)15(8)12)10(16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 295.39 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 71710381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).