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

C12H13N3O3S2 — CID 126469546

IUPAC7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCSc1nc2sccn2c(=O)c1C(=O)N1CCOCC1
InChIInChI=1S/C12H13N3O3S2/c1-19-9-8(10(16)14-2-5-18-6-3-14)11(17)15-4-7-20-12(15)13-9/h4,7H,2-3,5-6H2,1H3
InChIKeyBKIUCTDSHXFGIX-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.95
Rot. Bonds2

About 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126469546) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126469546
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCSc1nc2sccn2c(=O)c1C(=O)N1CCOCC1
InChIInChI=1S/C12H13N3O3S2/c1-19-9-8(10(16)14-2-5-18-6-3-14)11(17)15-4-7-20-12(15)13-9/h4,7H,2-3,5-6H2,1H3
InChIKeyBKIUCTDSHXFGIX-UHFFFAOYSA-N
XLogP0.95
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4429834
N-(2-methoxyethyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248286
2,3-Dimethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99821358
7-Ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469146
6-(2,6-Dimethylmorpholine-4-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469163
7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469353
N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469535
2-Methyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469588
3-Ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469711

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126469546) is 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CSc1nc2sccn2c(=O)c1C(=O)N1CCOCC1.
What is the InChIKey of 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BKIUCTDSHXFGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-19-9-8(10(16)14-2-5-18-6-3-14)11(17)15-4-7-20-12(15)13-9/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 311.39 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126469546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).