3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

C15H23ClN4OS — CID 119914835

IUPAC3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCNCC1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1.Cl
InChIInChI=1S/C15H22N4OS.ClH/c1-11-10-21-15-17-13(6-14(20)19(11)15)9-18-5-3-4-12(8-18)7-16-2;/h6,10,12,16H,3-5,7-9H2,1-2H3;1H
InChIKeyNZZBJAJEDFNUBN-UHFFFAOYSA-N
MW342.90 g/mol
LogP1.92
Rot. Bonds4

About 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (PubChem CID 119914835) has the molecular formula C15H23ClN4OS and a molecular weight of 342.90 g/mol. Its IUPAC name is 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
PubChem CID119914835
Molecular FormulaC15H23ClN4OS
Molecular Weight342.90 g/mol
Exact Mass342.13
IUPAC Name3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCNCC1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1.Cl
InChIInChI=1S/C15H22N4OS.ClH/c1-11-10-21-15-17-13(6-14(20)19(11)15)9-18-5-3-4-12(8-18)7-16-2;/h6,10,12,16H,3-5,7-9H2,1-2H3;1H
InChIKeyNZZBJAJEDFNUBN-UHFFFAOYSA-N
XLogP1.92
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (CID 119914835) is 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is CNCC1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1.Cl.
What is the InChIKey of 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The InChIKey is NZZBJAJEDFNUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS.ClH/c1-11-10-21-15-17-13(6-14(20)19(11)15)9-18-5-3-4-12(8-18)7-16-2;/h6,10,12,16H,3-5,7-9H2,1-2H3;1H.
What are the key properties of 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride has a molecular weight of 342.90 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 119914835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).