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

C12H13N3O2S — CID 3420653

IUPAC3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCCC3)c(=O)n12
InChIInChI=1S/C12H13N3O2S/c1-8-7-18-12-13-6-9(11(17)15(8)12)10(16)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyNEQDXGNSHVMUPJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.30
Rot. Bonds1

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

3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3420653) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3420653
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCCC3)c(=O)n12
InChIInChI=1S/C12H13N3O2S/c1-8-7-18-12-13-6-9(11(17)15(8)12)10(16)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyNEQDXGNSHVMUPJ-UHFFFAOYSA-N
XLogP1.30
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3420653) is 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2ncc(C(=O)N3CCCC3)c(=O)n12.
What is the InChIKey of 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NEQDXGNSHVMUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-7-18-12-13-6-9(11(17)15(8)12)10(16)14-4-2-3-5-14/h6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 263.32 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3420653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).