6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium

C7H9N2S+ — CID 817044

IUPAC6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCc1c[n+]2ccsc2n1C
InChIInChI=1S/C7H9N2S/c1-6-5-9-3-4-10-7(9)8(6)2/h3-5H,1-2H3/q+1
InChIKeyGVQMKAUUEGFJNY-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.13
Rot. Bonds

About 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium

6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium (PubChem CID 817044) has the molecular formula C7H9N2S+ and a molecular weight of 153.23 g/mol. Its IUPAC name is 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium.

Molecular Properties

Compound Name6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium
PubChem CID817044
Molecular FormulaC7H9N2S+
Molecular Weight153.23 g/mol
Exact Mass153.05
IUPAC Name6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCc1c[n+]2ccsc2n1C
InChIInChI=1S/C7H9N2S/c1-6-5-9-3-4-10-7(9)8(6)2/h3-5H,1-2H3/q+1
InChIKeyGVQMKAUUEGFJNY-UHFFFAOYSA-N
XLogP1.13
TPSA9.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.13
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 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium?
The IUPAC name of 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium (CID 817044) is 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium.
What is the SMILES notation for 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium?
The canonical SMILES for 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium is Cc1c[n+]2ccsc2n1C.
What is the InChIKey of 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium?
The InChIKey is GVQMKAUUEGFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2S/c1-6-5-9-3-4-10-7(9)8(6)2/h3-5H,1-2H3/q+1.
What are the key properties of 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium?
6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium has a molecular weight of 153.23 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium is sourced from PubChem (CID 817044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).