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

C14H19N3OS — CID 51464411

IUPAC3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCCC[C@@H]3C)cc(=O)n12
InChIInChI=1S/C14H19N3OS/c1-10-5-3-4-6-16(10)8-12-7-13(18)17-11(2)9-19-14(17)15-12/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyJDVLBEVFLRBWCA-JTQLQIEISA-N
MW277.39 g/mol
LogP2.44
Rot. Bonds2

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

3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51464411) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51464411
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCCC[C@@H]3C)cc(=O)n12
InChIInChI=1S/C14H19N3OS/c1-10-5-3-4-6-16(10)8-12-7-13(18)17-11(2)9-19-14(17)15-12/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyJDVLBEVFLRBWCA-JTQLQIEISA-N
XLogP2.44
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51464411) is 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCCC[C@@H]3C)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JDVLBEVFLRBWCA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-5-3-4-6-16(10)8-12-7-13(18)17-11(2)9-19-14(17)15-12/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 277.39 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51464411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).