7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H14N3O2S+ — CID 2549304

IUPAC7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(C[NH+]2CCOCC2)nc2sccn12
InChIInChI=1S/C11H13N3O2S/c15-10-7-9(8-13-1-4-16-5-2-13)12-11-14(10)3-6-17-11/h3,6-7H,1-2,4-5,8H2/p+1
InChIKeyYMYRPLBFFUOPSA-UHFFFAOYSA-O
MW252.32 g/mol
LogP-0.83
Rot. Bonds2

About 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2549304) has the molecular formula C11H14N3O2S+ and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2549304
Molecular FormulaC11H14N3O2S+
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC Name7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(C[NH+]2CCOCC2)nc2sccn12
InChIInChI=1S/C11H13N3O2S/c15-10-7-9(8-13-1-4-16-5-2-13)12-11-14(10)3-6-17-11/h3,6-7H,1-2,4-5,8H2/p+1
InChIKeyYMYRPLBFFUOPSA-UHFFFAOYSA-O
XLogP-0.83
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 24761831
7-[(2,6-Dimethyl-4-morpholinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2998063
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
7-(Morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2549305
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135439027
7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride
CID 53352301
2-(methylthio)-6-(4-morpholinylmethyl)-4(1H)-pyrimidinone
CID 136308705
7-[(3-Oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2657086
7-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7126289
7-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7126290
7-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7126291
7-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7126292

Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2549304) is 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(C[NH+]2CCOCC2)nc2sccn12.
What is the InChIKey of 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YMYRPLBFFUOPSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13N3O2S/c15-10-7-9(8-13-1-4-16-5-2-13)12-11-14(10)3-6-17-11/h3,6-7H,1-2,4-5,8H2/p+1.
What are the key properties of 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 252.32 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2549304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).