6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H25N3OS — CID 4974141

IUPAC6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(N2CCCCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C16H25N3OS/c1-2-3-5-8-13-14(18-9-6-4-7-10-18)17-16-19(15(13)20)11-12-21-16/h2-12H2,1H3
InChIKeySNYQAROLVDNJNM-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.07
Rot. Bonds5

About 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4974141) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4974141
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(N2CCCCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C16H25N3OS/c1-2-3-5-8-13-14(18-9-6-4-7-10-18)17-16-19(15(13)20)11-12-21-16/h2-12H2,1H3
InChIKeySNYQAROLVDNJNM-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4974141) is 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCCc1c(N2CCCCC2)nc2n(c1=O)CCS2.
What is the InChIKey of 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SNYQAROLVDNJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-3-5-8-13-14(18-9-6-4-7-10-18)17-16-19(15(13)20)11-12-21-16/h2-12H2,1H3.
What are the key properties of 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 307.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4974141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).