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

C20H28N4O2S — CID 86928126

IUPAC7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(C(=O)CCC4CCCC4)CC3)cc(=O)n12
InChIInChI=1S/C20H28N4O2S/c1-15-14-27-20-21-17(12-19(26)24(15)20)13-22-8-10-23(11-9-22)18(25)7-6-16-4-2-3-5-16/h12,14,16H,2-11,13H2,1H3
InChIKeyVAZVMMPYDBGCBB-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.68
Rot. Bonds5

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

7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86928126) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86928126
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(C(=O)CCC4CCCC4)CC3)cc(=O)n12
InChIInChI=1S/C20H28N4O2S/c1-15-14-27-20-21-17(12-19(26)24(15)20)13-22-8-10-23(11-9-22)18(25)7-6-16-4-2-3-5-16/h12,14,16H,2-11,13H2,1H3
InChIKeyVAZVMMPYDBGCBB-UHFFFAOYSA-N
XLogP2.68
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86928126) is 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCN(C(=O)CCC4CCCC4)CC3)cc(=O)n12.
What is the InChIKey of 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VAZVMMPYDBGCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-15-14-27-20-21-17(12-19(26)24(15)20)13-22-8-10-23(11-9-22)18(25)7-6-16-4-2-3-5-16/h12,14,16H,2-11,13H2,1H3.
What are the key properties of 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 388.54 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86928126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).