3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione

C7H6N2S2 — CID 14302773

IUPAC3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESCn1c(=S)sc2ccncc21
InChIInChI=1S/C7H6N2S2/c1-9-5-4-8-3-2-6(5)11-7(9)10/h2-4H,1H3
InChIKeyXLWWBEFLSBVMLT-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.36
Rot. Bonds

About 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione

3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione (PubChem CID 14302773) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione
PubChem CID14302773
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESCn1c(=S)sc2ccncc21
InChIInChI=1S/C7H6N2S2/c1-9-5-4-8-3-2-6(5)11-7(9)10/h2-4H,1H3
InChIKeyXLWWBEFLSBVMLT-UHFFFAOYSA-N
XLogP2.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The IUPAC name of 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione (CID 14302773) is 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The canonical SMILES for 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione is Cn1c(=S)sc2ccncc21.
What is the InChIKey of 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The InChIKey is XLWWBEFLSBVMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c1-9-5-4-8-3-2-6(5)11-7(9)10/h2-4H,1H3.
What are the key properties of 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione?
3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione has a molecular weight of 182.27 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 14302773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).