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

C16H19N5OS — CID 51104475

IUPAC3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCC(c4ccn[nH]4)CC3)cc(=O)n12
InChIInChI=1S/C16H19N5OS/c1-11-10-23-16-18-13(8-15(22)21(11)16)9-20-6-3-12(4-7-20)14-2-5-17-19-14/h2,5,8,10,12H,3-4,6-7,9H2,1H3,(H,17,19)
InChIKeyJGDXUAHFEKRIIV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.17
Rot. Bonds3

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

3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51104475) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51104475
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCC(c4ccn[nH]4)CC3)cc(=O)n12
InChIInChI=1S/C16H19N5OS/c1-11-10-23-16-18-13(8-15(22)21(11)16)9-20-6-3-12(4-7-20)14-2-5-17-19-14/h2,5,8,10,12H,3-4,6-7,9H2,1H3,(H,17,19)
InChIKeyJGDXUAHFEKRIIV-UHFFFAOYSA-N
XLogP2.17
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 129609183
2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 164635915
7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
CID 139453911
10-(cyclohexylmethyl)-7-methyl-4-(1H-pyrazol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),4,11-trien-9-one
CID 169625769
7-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51104340
2-Methyl-7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51104369
2-ethyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51104418
7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104435
9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104462
7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104484
2-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51104528
3-Methyl-7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 53548833

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51104475) is 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCC(c4ccn[nH]4)CC3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JGDXUAHFEKRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-10-23-16-18-13(8-15(22)21(11)16)9-20-6-3-12(4-7-20)14-2-5-17-19-14/h2,5,8,10,12H,3-4,6-7,9H2,1H3,(H,17,19).
What are the key properties of 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[4-(1H-pyrazol-5-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 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51104475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).