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

C16H19N5OS — CID 51104340

IUPAC7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCn1nccc1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C16H19N5OS/c1-19-14(2-5-17-19)12-3-6-20(7-4-12)11-13-10-15(22)21-8-9-23-16(21)18-13/h2,5,8-10,12H,3-4,6-7,11H2,1H3
InChIKeyIWCGHBGKSIDSIM-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.87
Rot. Bonds3

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

7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51104340) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51104340
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCn1nccc1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C16H19N5OS/c1-19-14(2-5-17-19)12-3-6-20(7-4-12)11-13-10-15(22)21-8-9-23-16(21)18-13/h2,5,8-10,12H,3-4,6-7,11H2,1H3
InChIKeyIWCGHBGKSIDSIM-UHFFFAOYSA-N
XLogP1.87
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51104340) is 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cn1nccc1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IWCGHBGKSIDSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-19-14(2-5-17-19)12-3-6-20(7-4-12)11-13-10-15(22)21-8-9-23-16(21)18-13/h2,5,8-10,12H,3-4,6-7,11H2,1H3.
What are the key properties of 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 329.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51104340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).