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

C13H18N4OS — CID 66183038

IUPAC7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2c(C)csc2n1)C1CNC1
InChIInChI=1S/C13H18N4OS/c1-3-16(11-5-14-6-11)7-10-4-12(18)17-9(2)8-19-13(17)15-10/h4,8,11,14H,3,5-7H2,1-2H3
InChIKeyCXOVBTGCGSGFJO-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.86
Rot. Bonds4

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

7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66183038) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66183038
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2c(C)csc2n1)C1CNC1
InChIInChI=1S/C13H18N4OS/c1-3-16(11-5-14-6-11)7-10-4-12(18)17-9(2)8-19-13(17)15-10/h4,8,11,14H,3,5-7H2,1-2H3
InChIKeyCXOVBTGCGSGFJO-UHFFFAOYSA-N
XLogP0.86
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.86
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(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66183038) is 7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(Cc1cc(=O)n2c(C)csc2n1)C1CNC1.
What is the InChIKey of 7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CXOVBTGCGSGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-16(11-5-14-6-11)7-10-4-12(18)17-9(2)8-19-13(17)15-10/h4,8,11,14H,3,5-7H2,1-2H3.
What are the key properties of 7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66183038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).