7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H16N4OS — CID 66181615

IUPAC7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)C3CNC3)cc(=O)n12
InChIInChI=1S/C12H16N4OS/c1-8-7-18-12-14-9(3-11(17)16(8)12)6-15(2)10-4-13-5-10/h3,7,10,13H,4-6H2,1-2H3
InChIKeyRIVLNRIZRNCBBP-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.47
Rot. Bonds3

About 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66181615) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66181615
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)C3CNC3)cc(=O)n12
InChIInChI=1S/C12H16N4OS/c1-8-7-18-12-14-9(3-11(17)16(8)12)6-15(2)10-4-13-5-10/h3,7,10,13H,4-6H2,1-2H3
InChIKeyRIVLNRIZRNCBBP-UHFFFAOYSA-N
XLogP0.47
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66181615) is 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)C3CNC3)cc(=O)n12.
What is the InChIKey of 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RIVLNRIZRNCBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-7-18-12-14-9(3-11(17)16(8)12)6-15(2)10-4-13-5-10/h3,7,10,13H,4-6H2,1-2H3.
What are the key properties of 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 264.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66181615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).