8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C15H24N2O2S — CID 135408045

IUPAC8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCCCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-5-6-7-9-12-13(18)16-15-17(14(12)19)10-8-11-20-15/h18H,2-11H2,1H3
InChIKeyPKZTWOWVJJTCLE-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.35
Rot. Bonds7

About 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135408045) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135408045
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCCCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-5-6-7-9-12-13(18)16-15-17(14(12)19)10-8-11-20-15/h18H,2-11H2,1H3
InChIKeyPKZTWOWVJJTCLE-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
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 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135408045) is 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCCCCc1c(O)nc2n(c1=O)CCCS2.
What is the InChIKey of 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is PKZTWOWVJJTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-3-4-5-6-7-9-12-13(18)16-15-17(14(12)19)10-8-11-20-15/h18H,2-11H2,1H3.
What are the key properties of 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 296.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-octyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135408045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).