7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione

C6H3BrN2S2 — CID 11850828

IUPAC7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cncc(Br)c2s1
InChIInChI=1S/C6H3BrN2S2/c7-3-1-8-2-4-5(3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKeyRKZTVKBTYPGBRR-UHFFFAOYSA-N
MW247.14 g/mol
LogP3.12
Rot. Bonds

About 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione

7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (PubChem CID 11850828) has the molecular formula C6H3BrN2S2 and a molecular weight of 247.14 g/mol. Its IUPAC name is 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
PubChem CID11850828
Molecular FormulaC6H3BrN2S2
Molecular Weight247.14 g/mol
Exact Mass245.89
IUPAC Name7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cncc(Br)c2s1
InChIInChI=1S/C6H3BrN2S2/c7-3-1-8-2-4-5(3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKeyRKZTVKBTYPGBRR-UHFFFAOYSA-N
XLogP3.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 53.12
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 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The IUPAC name of 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (CID 11850828) is 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The canonical SMILES for 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is S=c1[nH]c2cncc(Br)c2s1.
What is the InChIKey of 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The InChIKey is RKZTVKBTYPGBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2S2/c7-3-1-8-2-4-5(3)11-6(10)9-4/h1-2H,(H,9,10).
What are the key properties of 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione has a molecular weight of 247.14 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 11850828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).