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

C14H17N3O2S2 — CID 71926222

IUPAC6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)C1CN(C(=O)c2cnc3sccn3c2=O)CCS1
InChIInChI=1S/C14H17N3O2S2/c1-9(2)11-8-16(3-5-20-11)12(18)10-7-15-14-17(13(10)19)4-6-21-14/h4,6-7,9,11H,3,5,8H2,1-2H3
InChIKeyNVEBWWODLXVORU-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.97
Rot. Bonds2

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

6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 71926222) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID71926222
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)C1CN(C(=O)c2cnc3sccn3c2=O)CCS1
InChIInChI=1S/C14H17N3O2S2/c1-9(2)11-8-16(3-5-20-11)12(18)10-7-15-14-17(13(10)19)4-6-21-14/h4,6-7,9,11H,3,5,8H2,1-2H3
InChIKeyNVEBWWODLXVORU-UHFFFAOYSA-N
XLogP1.97
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 71926222) is 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)C1CN(C(=O)c2cnc3sccn3c2=O)CCS1.
What is the InChIKey of 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NVEBWWODLXVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-9(2)11-8-16(3-5-20-11)12(18)10-7-15-14-17(13(10)19)4-6-21-14/h4,6-7,9,11H,3,5,8H2,1-2H3.
What are the key properties of 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 323.44 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-ylthiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 71926222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).