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

C20H20N4OS — CID 42893368

IUPAC7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)nc2sccn12
InChIInChI=1S/C20H20N4OS/c25-19-11-15(22-20-24(19)9-10-26-20)13-23-7-5-14(6-8-23)17-12-21-18-4-2-1-3-16(17)18/h1-4,9-12,14,21H,5-8,13H2
InChIKeyHACVRKNJOJGZDP-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.62
Rot. Bonds3

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

7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42893368) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42893368
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)nc2sccn12
InChIInChI=1S/C20H20N4OS/c25-19-11-15(22-20-24(19)9-10-26-20)13-23-7-5-14(6-8-23)17-12-21-18-4-2-1-3-16(17)18/h1-4,9-12,14,21H,5-8,13H2
InChIKeyHACVRKNJOJGZDP-UHFFFAOYSA-N
XLogP3.62
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42893368) is 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)nc2sccn12.
What is the InChIKey of 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HACVRKNJOJGZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-19-11-15(22-20-24(19)9-10-26-20)13-23-7-5-14(6-8-23)17-12-21-18-4-2-1-3-16(17)18/h1-4,9-12,14,21H,5-8,13H2.
What are the key properties of 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 364.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42893368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).