5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione

C11H12N2O3S2 — CID 156737100

IUPAC5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
SMILESOCC1OC(n2ccc3ncsc3c2=S)C[C@H]1O
InChIInChI=1S/C11H12N2O3S2/c14-4-8-7(15)3-9(16-8)13-2-1-6-10(11(13)17)18-5-12-6/h1-2,5,7-9,14-15H,3-4H2/t7-,8?,9?/m1/s1
InChIKeyKDKVRKJGKNISAH-AFPNSQJFSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds2

About 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione

5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione (PubChem CID 156737100) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione.

Molecular Properties

Compound Name5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
PubChem CID156737100
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
SMILESOCC1OC(n2ccc3ncsc3c2=S)C[C@H]1O
InChIInChI=1S/C11H12N2O3S2/c14-4-8-7(15)3-9(16-8)13-2-1-6-10(11(13)17)18-5-12-6/h1-2,5,7-9,14-15H,3-4H2/t7-,8?,9?/m1/s1
InChIKeyKDKVRKJGKNISAH-AFPNSQJFSA-N
XLogP1.47
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
CID 156737114
[hydroxy-[[(3R)-3-hydroxy-5-(4-sulfanylidene-[1,3]thiazolo[5,4-c]pyridin-5-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 170003400
6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione
CID 146330294
2-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylisoquinoline-1-thione
CID 164880819
3-hydroxy-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyridine-4-thione
CID 58776098
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-4-sulfanylidenepyrimidin-2-one
CID 22875283
3-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 91560968
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136674918
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The IUPAC name of 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione (CID 156737100) is 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione.
What is the SMILES notation for 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The canonical SMILES for 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione is OCC1OC(n2ccc3ncsc3c2=S)C[C@H]1O.
What is the InChIKey of 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The InChIKey is KDKVRKJGKNISAH-AFPNSQJFSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c14-4-8-7(15)3-9(16-8)13-2-1-6-10(11(13)17)18-5-12-6/h1-2,5,7-9,14-15H,3-4H2/t7-,8?,9?/m1/s1.
What are the key properties of 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione?
5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione has a molecular weight of 284.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione is sourced from PubChem (CID 156737100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).