2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H13N3O3S — CID 126469588

IUPAC2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCOCC3)cnc2s1
InChIInChI=1S/C12H13N3O3S/c1-8-7-15-11(17)9(6-13-12(15)19-8)10(16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3
InChIKeyGFCMKXSJYQFWDT-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.54
Rot. Bonds1

About 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126469588) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126469588
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCOCC3)cnc2s1
InChIInChI=1S/C12H13N3O3S/c1-8-7-15-11(17)9(6-13-12(15)19-8)10(16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3
InChIKeyGFCMKXSJYQFWDT-UHFFFAOYSA-N
XLogP0.54
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Morpholine, 4-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379281
5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(4-morpholinylcarbonyl)-
CID 4293962
3-Methyl-6-(morpholine-4-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 4405956
6-Methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44044832
2,3-Dimethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99821358
6-(2,6-Dimethylmorpholine-4-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469163
N,2-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469275
6-(2,6-Dimethylmorpholine-4-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469301
7-Methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469546
3-Ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469711
6-(2,6-Dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470040
N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126469588) is 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(C(=O)N3CCOCC3)cnc2s1.
What is the InChIKey of 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GFCMKXSJYQFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-7-15-11(17)9(6-13-12(15)19-8)10(16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.32 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126469588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).