4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium

C7H7N2S+ — CID 59731687

IUPAC4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium
SMILESC[n+]1cccc2ncsc21
InChIInChI=1S/C7H7N2S/c1-9-4-2-3-6-7(9)10-5-8-6/h2-5H,1H3/q+1
InChIKeyNLQPQWLZWMVQGY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.12
Rot. Bonds

About 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium

4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium (PubChem CID 59731687) has the molecular formula C7H7N2S+ and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium.

Molecular Properties

Compound Name4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium
PubChem CID59731687
Molecular FormulaC7H7N2S+
Molecular Weight151.21 g/mol
Exact Mass151.03
IUPAC Name4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium
SMILESC[n+]1cccc2ncsc21
InChIInChI=1S/C7H7N2S/c1-9-4-2-3-6-7(9)10-5-8-6/h2-5H,1H3/q+1
InChIKeyNLQPQWLZWMVQGY-UHFFFAOYSA-N
XLogP1.12
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium?
The IUPAC name of 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium (CID 59731687) is 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium.
What is the SMILES notation for 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium?
The canonical SMILES for 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium is C[n+]1cccc2ncsc21.
What is the InChIKey of 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium?
The InChIKey is NLQPQWLZWMVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2S/c1-9-4-2-3-6-7(9)10-5-8-6/h2-5H,1H3/q+1.
What are the key properties of 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium?
4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium has a molecular weight of 151.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium is sourced from PubChem (CID 59731687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).