1H-[1,3]thiazolo[5,4-b]pyridine-2-thione

C6H4N2S2 — CID 2782239

IUPAC1H-[1,3]thiazolo[5,4-b]pyridine-2-thione
SMILESS=c1[nH]c2cccnc2s1
InChIInChI=1S/C6H4N2S2/c9-6-8-4-2-1-3-7-5(4)10-6/h1-3H,(H,8,9)
InChIKeyWITYIAHCBUYCSY-UHFFFAOYSA-N
MW168.25 g/mol
LogP2.35
Rot. Bonds

About 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione

1H-[1,3]thiazolo[5,4-b]pyridine-2-thione (PubChem CID 2782239) has the molecular formula C6H4N2S2 and a molecular weight of 168.25 g/mol. Its IUPAC name is 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione.

Molecular Properties

Compound Name1H-[1,3]thiazolo[5,4-b]pyridine-2-thione
PubChem CID2782239
Molecular FormulaC6H4N2S2
Molecular Weight168.25 g/mol
Exact Mass167.98
IUPAC Name1H-[1,3]thiazolo[5,4-b]pyridine-2-thione
SMILESS=c1[nH]c2cccnc2s1
InChIInChI=1S/C6H4N2S2/c9-6-8-4-2-1-3-7-5(4)10-6/h1-3H,(H,8,9)
InChIKeyWITYIAHCBUYCSY-UHFFFAOYSA-N
XLogP2.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione?
The IUPAC name of 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione (CID 2782239) is 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione.
What is the SMILES notation for 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione?
The canonical SMILES for 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione is S=c1[nH]c2cccnc2s1.
What is the InChIKey of 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione?
The InChIKey is WITYIAHCBUYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S2/c9-6-8-4-2-1-3-7-5(4)10-6/h1-3H,(H,8,9).
What are the key properties of 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione?
1H-[1,3]thiazolo[5,4-b]pyridine-2-thione has a molecular weight of 168.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione is sourced from PubChem (CID 2782239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).