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

C13H17N3OS — CID 2655084

IUPAC7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)9-11-8-12(17)16-6-7-18-13(16)14-11/h6-8,10H,2-5,9H2,1H3
InChIKeyXFMSMLRPVGIHCH-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.99
Rot. Bonds2

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

7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2655084) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2655084
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)9-11-8-12(17)16-6-7-18-13(16)14-11/h6-8,10H,2-5,9H2,1H3
InChIKeyXFMSMLRPVGIHCH-UHFFFAOYSA-N
XLogP1.99
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-azepanylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2463832
7-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
7-{[cyclohexyl(methyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
7-(Piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2122913
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 2419350
7-[[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16254009
7-{[methyl(tetrahydro-2H-thiopyran-4-yl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91839100
3-Methyl-7-[(3-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16383461
7-methyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23004546
7-[(3-Ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47030291
N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 47055648
7-[(4-Ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47057384

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2655084) is 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XFMSMLRPVGIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)9-11-8-12(17)16-6-7-18-13(16)14-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 263.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2655084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).