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

C17H27N3OS — CID 4910070

IUPAC7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(N2CCCCCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C17H27N3OS/c1-2-3-6-9-14-15(19-10-7-4-5-8-11-19)18-17-20(16(14)21)12-13-22-17/h2-13H2,1H3
InChIKeyANGJOJSNQSCJRE-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.46
Rot. Bonds5

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

7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4910070) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4910070
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(N2CCCCCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C17H27N3OS/c1-2-3-6-9-14-15(19-10-7-4-5-8-11-19)18-17-20(16(14)21)12-13-22-17/h2-13H2,1H3
InChIKeyANGJOJSNQSCJRE-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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Related Compounds

8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4906761
7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4911889
6-Pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4974141
7-hydroxy-6-pentyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135648652

Frequently Asked Questions

What is the IUPAC name of 7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4910070) is 7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCCc1c(N2CCCCCC2)nc2n(c1=O)CCS2.
What is the InChIKey of 7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ANGJOJSNQSCJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-2-3-6-9-14-15(19-10-7-4-5-8-11-19)18-17-20(16(14)21)12-13-22-17/h2-13H2,1H3.
What are the key properties of 7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-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-(azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4910070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).