8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol

C8H8N4OS — CID 165349518

IUPAC8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol
SMILESOC1CSc2nc3cncnc3n2C1
InChIInChI=1S/C8H8N4OS/c13-5-2-12-7-6(1-9-4-10-7)11-8(12)14-3-5/h1,4-5,13H,2-3H2
InChIKeyWLSJKBPQPJJOHQ-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.29
Rot. Bonds

About 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol

8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol (PubChem CID 165349518) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol.

Molecular Properties

Compound Name8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol
PubChem CID165349518
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol
SMILESOC1CSc2nc3cncnc3n2C1
InChIInChI=1S/C8H8N4OS/c13-5-2-12-7-6(1-9-4-10-7)11-8(12)14-3-5/h1,4-5,13H,2-3H2
InChIKeyWLSJKBPQPJJOHQ-UHFFFAOYSA-N
XLogP0.29
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135956509
2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
CID 583014
2-purin-9-ylcyclohexan-1-ol
CID 517723
9-sulfanylpurine-8-carbaldehyde
CID 175186924
9-methylpurine-8-carbaldehyde
CID 59036847
9-chloro-8-methylpurine
CID 174882940
9-bromopurine
CID 91356605
(7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine
CID 70316853
9-propan-2-ylpurine-8-sulfonic acid
CID 174675108
ethane-1,2-diol;purin-9-amine
CID 174612658
(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102318068
3-propan-2-yltriazolo[4,5-d]pyrimidine
CID 57472339

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol?
The IUPAC name of 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol (CID 165349518) is 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol.
What is the SMILES notation for 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol?
The canonical SMILES for 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol is OC1CSc2nc3cncnc3n2C1.
What is the InChIKey of 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol?
The InChIKey is WLSJKBPQPJJOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c13-5-2-12-7-6(1-9-4-10-7)11-8(12)14-3-5/h1,4-5,13H,2-3H2.
What are the key properties of 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol?
8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol has a molecular weight of 208.25 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-8-ol is sourced from PubChem (CID 165349518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).