(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C22H19N3O3S — CID 3578812

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1CCc2nc3ccccc3c(C(=O)OCc3cc(=O)n4ccsc4n3)c2C1
InChIInChI=1S/C22H19N3O3S/c1-13-6-7-18-16(10-13)20(15-4-2-3-5-17(15)24-18)21(27)28-12-14-11-19(26)25-8-9-29-22(25)23-14/h2-5,8-9,11,13H,6-7,10,12H2,1H3
InChIKeyJQKBVSRYGTUWHA-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.79
Rot. Bonds3

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 3578812) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID3578812
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1CCc2nc3ccccc3c(C(=O)OCc3cc(=O)n4ccsc4n3)c2C1
InChIInChI=1S/C22H19N3O3S/c1-13-6-7-18-16(10-13)20(15-4-2-3-5-17(15)24-18)21(27)28-12-14-11-19(26)25-8-9-29-22(25)23-14/h2-5,8-9,11,13H,6-7,10,12H2,1H3
InChIKeyJQKBVSRYGTUWHA-UHFFFAOYSA-N
XLogP3.79
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2632002
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 24631235
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4002903
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18130518
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139057
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2469012
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2652513
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696059
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599521
[2-(N-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2434648

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 3578812) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC1CCc2nc3ccccc3c(C(=O)OCc3cc(=O)n4ccsc4n3)c2C1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is JQKBVSRYGTUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-13-6-7-18-16(10-13)20(15-4-2-3-5-17(15)24-18)21(27)28-12-14-11-19(26)25-8-9-29-22(25)23-14/h2-5,8-9,11,13H,6-7,10,12H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 405.48 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 3578812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).