7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H13N3O3S2 — CID 6625153

IUPAC7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H13N3O3S2/c1-8-9(19(16,17)13-4-2-3-5-13)10(15)14-6-7-18-11(14)12-8/h6-7H,2-5H2,1H3
InChIKeyQKPCVWIIBWZHMU-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.85
Rot. Bonds2

About 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 6625153) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID6625153
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H13N3O3S2/c1-8-9(19(16,17)13-4-2-3-5-13)10(15)14-6-7-18-11(14)12-8/h6-7H,2-5H2,1H3
InChIKeyQKPCVWIIBWZHMU-UHFFFAOYSA-N
XLogP0.85
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methyl-6-pyrrolidin-1-ylsulfonyl-[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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 6625153) is 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QKPCVWIIBWZHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-8-9(19(16,17)13-4-2-3-5-13)10(15)14-6-7-18-11(14)12-8/h6-7H,2-5H2,1H3.
What are the key properties of 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 299.38 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-pyrrolidin-1-ylsulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 6625153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).