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

C10H14N4OS — CID 62686087

IUPAC7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(CCN)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H14N4OS/c1-13(3-2-11)7-8-6-9(15)14-4-5-16-10(14)12-8/h4-6H,2-3,7,11H2,1H3
InChIKeyMFXBJAAHYZUGNG-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.15
Rot. Bonds4

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

7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 62686087) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID62686087
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(CCN)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H14N4OS/c1-13(3-2-11)7-8-6-9(15)14-4-5-16-10(14)12-8/h4-6H,2-3,7,11H2,1H3
InChIKeyMFXBJAAHYZUGNG-UHFFFAOYSA-N
XLogP0.15
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 62686087) is 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN(CCN)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MFXBJAAHYZUGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-13(3-2-11)7-8-6-9(15)14-4-5-16-10(14)12-8/h4-6H,2-3,7,11H2,1H3.
What are the key properties of 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 238.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 62686087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).