N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H19N4O3S+ — CID 4160430

IUPACN-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H18N4O3S/c18-11(14-1-2-16-3-6-20-7-4-16)10-9-15-13-17(12(10)19)5-8-21-13/h9H,1-8H2,(H,14,18)/p+1
InChIKeyNRNFFSYAWBAILF-UHFFFAOYSA-O
MW311.39 g/mol
LogP-2.01
Rot. Bonds4

About N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4160430) has the molecular formula C13H19N4O3S+ and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4160430
Molecular FormulaC13H19N4O3S+
Molecular Weight311.39 g/mol
Exact Mass311.12
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H18N4O3S/c18-11(14-1-2-16-3-6-20-7-4-16)10-9-15-13-17(12(10)19)5-8-21-13/h9H,1-8H2,(H,14,18)/p+1
InChIKeyNRNFFSYAWBAILF-UHFFFAOYSA-O
XLogP-2.01
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-N-(2-morpholinoethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853336
Morpholine, 4-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379281
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-N-4-morpholinyl-5-oxo-
CID 13379288
7-hydroxy-3-methyl-N-(2-morpholinoethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853382
N-(2-morpholin-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4160431
N-(3-methoxypropyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4583472
5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5227429
5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 120813399
N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4429834
2-morpholin-4-yl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942810
N-[3-(Morpholin-4-YL)propyl]-5-oxo-2-(pyrrolidin-1-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 20942848
N-[2-(Morpholin-4-YL)ethyl]-5-oxo-2-(pyrrolidin-1-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 20942862

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4160430) is N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC[NH+]1CCOCC1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NRNFFSYAWBAILF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N4O3S/c18-11(14-1-2-16-3-6-20-7-4-16)10-9-15-13-17(12(10)19)5-8-21-13/h9H,1-8H2,(H,14,18)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 311.39 g/mol, XLogP of -2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4160430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).