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

C7H6N2S2 — CID 58893078

IUPAC7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESCc1cncc2[nH]c(=S)sc12
InChIInChI=1S/C7H6N2S2/c1-4-2-8-3-5-6(4)11-7(10)9-5/h2-3H,1H3,(H,9,10)
InChIKeyISIIXSOYKZYAQU-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.66
Rot. Bonds

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

7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (PubChem CID 58893078) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
PubChem CID58893078
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESCc1cncc2[nH]c(=S)sc12
InChIInChI=1S/C7H6N2S2/c1-4-2-8-3-5-6(4)11-7(10)9-5/h2-3H,1H3,(H,9,10)
InChIKeyISIIXSOYKZYAQU-UHFFFAOYSA-N
XLogP2.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.66
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-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The IUPAC name of 7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (CID 58893078) is 7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The canonical SMILES for 7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is Cc1cncc2[nH]c(=S)sc12.
What is the InChIKey of 7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The InChIKey is ISIIXSOYKZYAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c1-4-2-8-3-5-6(4)11-7(10)9-5/h2-3H,1H3,(H,9,10).
What are the key properties of 7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione has a molecular weight of 182.27 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 58893078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).