7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H18N4OS — CID 43607183

IUPAC7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(Cc1cc(=O)n2ccsc2n1)C1CCNCC1
InChIInChI=1S/C13H18N4OS/c1-16(11-2-4-14-5-3-11)9-10-8-12(18)17-6-7-19-13(17)15-10/h6-8,11,14H,2-5,9H2,1H3
InChIKeyJWDFTEJEHZWXKY-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.94
Rot. Bonds3

About 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 43607183) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID43607183
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(Cc1cc(=O)n2ccsc2n1)C1CCNCC1
InChIInChI=1S/C13H18N4OS/c1-16(11-2-4-14-5-3-11)9-10-8-12(18)17-6-7-19-13(17)15-10/h6-8,11,14H,2-5,9H2,1H3
InChIKeyJWDFTEJEHZWXKY-UHFFFAOYSA-N
XLogP0.94
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 43607183) is 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN(Cc1cc(=O)n2ccsc2n1)C1CCNCC1.
What is the InChIKey of 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JWDFTEJEHZWXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-16(11-2-4-14-5-3-11)9-10-8-12(18)17-6-7-19-13(17)15-10/h6-8,11,14H,2-5,9H2,1H3.
What are the key properties of 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 43607183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).