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

C12H13N3O3S2 — CID 126471432

IUPAC6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCSc1nc2sccn2c(=O)c1C(=O)N1CCC(O)C1
InChIInChI=1S/C12H13N3O3S2/c1-19-9-8(10(17)14-3-2-7(16)6-14)11(18)15-4-5-20-12(15)13-9/h4-5,7,16H,2-3,6H2,1H3
InChIKeyMLSIWCOKBNKDLE-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.68
Rot. Bonds2

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

6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126471432) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126471432
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCSc1nc2sccn2c(=O)c1C(=O)N1CCC(O)C1
InChIInChI=1S/C12H13N3O3S2/c1-19-9-8(10(17)14-3-2-7(16)6-14)11(18)15-4-5-20-12(15)13-9/h4-5,7,16H,2-3,6H2,1H3
InChIKeyMLSIWCOKBNKDLE-UHFFFAOYSA-N
XLogP0.68
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70733708
CID 70733708
CID 43418224
CID 43418224
CID 43573360
CID 43573360
CID 126469242
CID 126469242
CID 126469246
CID 126469246
CID 126470220
CID 126470220
CID 126470221
CID 126470221
CID 126470501
CID 126470501
CID 126471080
CID 126471080
CID 43416047
CID 43416047
CID 55060964
CID 55060964
CID 61233427
CID 61233427

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126471432) is 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CSc1nc2sccn2c(=O)c1C(=O)N1CCC(O)C1.
What is the InChIKey of 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MLSIWCOKBNKDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-19-9-8(10(17)14-3-2-7(16)6-14)11(18)15-4-5-20-12(15)13-9/h4-5,7,16H,2-3,6H2,1H3.
What are the key properties of 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 311.39 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypyrrolidine-1-carbonyl)-7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126471432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).