7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H13N3O4S2 — CID 23004545

IUPAC7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H13N3O4S2/c1-8-9(10(15)14-4-7-19-11(14)12-8)20(16,17)13-2-5-18-6-3-13/h4,7H,2-3,5-6H2,1H3
InChIKeyRITDJSBHYMSOBN-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.09
Rot. Bonds2

About 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 23004545) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID23004545
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H13N3O4S2/c1-8-9(10(15)14-4-7-19-11(14)12-8)20(16,17)13-2-5-18-6-3-13/h4,7H,2-3,5-6H2,1H3
InChIKeyRITDJSBHYMSOBN-UHFFFAOYSA-N
XLogP0.09
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 23004545) is 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RITDJSBHYMSOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-8-9(10(15)14-4-7-19-11(14)12-8)20(16,17)13-2-5-18-6-3-13/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 315.38 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-morpholin-4-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 23004545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).