3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C11H13N3O3S — CID 90573677

IUPAC3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=C(C1CSc2nccc(=O)n2C1)N1CC(O)C1
InChIInChI=1S/C11H13N3O3S/c15-8-4-13(5-8)10(17)7-3-14-9(16)1-2-12-11(14)18-6-7/h1-2,7-8,15H,3-6H2
InChIKeyXGZGANQNHMGHIG-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.83
Rot. Bonds1

About 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 90573677) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID90573677
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=C(C1CSc2nccc(=O)n2C1)N1CC(O)C1
InChIInChI=1S/C11H13N3O3S/c15-8-4-13(5-8)10(17)7-3-14-9(16)1-2-12-11(14)18-6-7/h1-2,7-8,15H,3-6H2
InChIKeyXGZGANQNHMGHIG-UHFFFAOYSA-N
XLogP-0.83
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 90573677) is 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=C(C1CSc2nccc(=O)n2C1)N1CC(O)C1.
What is the InChIKey of 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is XGZGANQNHMGHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-8-4-13(5-8)10(17)7-3-14-9(16)1-2-12-11(14)18-6-7/h1-2,7-8,15H,3-6H2.
What are the key properties of 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 267.31 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 90573677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).