7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C17H27N3OS — CID 4974916

IUPAC7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(N2CCCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C17H27N3OS/c1-2-3-5-9-14-15(19-10-6-4-7-11-19)18-17-20(16(14)21)12-8-13-22-17/h2-13H2,1H3
InChIKeyRDNQEXUYEBFAIK-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.46
Rot. Bonds5

About 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4974916) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4974916
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(N2CCCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C17H27N3OS/c1-2-3-5-9-14-15(19-10-6-4-7-11-19)18-17-20(16(14)21)12-8-13-22-17/h2-13H2,1H3
InChIKeyRDNQEXUYEBFAIK-UHFFFAOYSA-N
XLogP3.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.46
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 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4974916) is 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCc1c(N2CCCCC2)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is RDNQEXUYEBFAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-2-3-5-9-14-15(19-10-6-4-7-11-19)18-17-20(16(14)21)12-8-13-22-17/h2-13H2,1H3.
What are the key properties of 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 321.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4974916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).