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

C13H15N3O3S2 — CID 126471273

IUPAC7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nc2sccn2c(=O)c1C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O3S2/c1-2-20-10-9(11(17)15-3-6-19-7-4-15)12(18)16-5-8-21-13(16)14-10/h5,8H,2-4,6-7H2,1H3
InChIKeyDRTDBRUHARWDMB-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.34
Rot. Bonds3

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

7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126471273) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126471273
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nc2sccn2c(=O)c1C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O3S2/c1-2-20-10-9(11(17)15-3-6-19-7-4-15)12(18)16-5-8-21-13(16)14-10/h5,8H,2-4,6-7H2,1H3
InChIKeyDRTDBRUHARWDMB-UHFFFAOYSA-N
XLogP1.34
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126471273) is 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCSc1nc2sccn2c(=O)c1C(=O)N1CCOCC1.
What is the InChIKey of 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DRTDBRUHARWDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-2-20-10-9(11(17)15-3-6-19-7-4-15)12(18)16-5-8-21-13(16)14-10/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 325.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126471273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).