3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole

C20H22N6S3 — CID 143762185

IUPAC3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cnc2scc(C)n12.Cc1cnc2sccn12.Cc1nc2sccn2c1C
InChIInChI=1S/2C7H8N2S.C6H6N2S/c1-5-3-8-7-9(5)6(2)4-10-7;1-5-6(2)9-3-4-10-7(9)8-5;1-5-4-7-6-8(5)2-3-9-6/h2*3-4H,1-2H3;2-4H,1H3
InChIKeyZKWNDIDLZYGMGU-UHFFFAOYSA-N
MW442.64 g/mol
LogP5.73
Rot. Bonds

About 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole

3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 143762185) has the molecular formula C20H22N6S3 and a molecular weight of 442.64 g/mol. Its IUPAC name is 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole
PubChem CID143762185
Molecular FormulaC20H22N6S3
Molecular Weight442.64 g/mol
Exact Mass442.11
IUPAC Name3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cnc2scc(C)n12.Cc1cnc2sccn12.Cc1nc2sccn2c1C
InChIInChI=1S/2C7H8N2S.C6H6N2S/c1-5-3-8-7-9(5)6(2)4-10-7;1-5-6(2)9-3-4-10-7(9)8-5;1-5-4-7-6-8(5)2-3-9-6/h2*3-4H,1-2H3;2-4H,1H3
InChIKeyZKWNDIDLZYGMGU-UHFFFAOYSA-N
XLogP5.73
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole (CID 143762185) is 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole is Cc1cnc2scc(C)n12.Cc1cnc2sccn12.Cc1nc2sccn2c1C.
What is the InChIKey of 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is ZKWNDIDLZYGMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8N2S.C6H6N2S/c1-5-3-8-7-9(5)6(2)4-10-7;1-5-6(2)9-3-4-10-7(9)8-5;1-5-4-7-6-8(5)2-3-9-6/h2*3-4H,1-2H3;2-4H,1H3.
What are the key properties of 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole?
3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 442.64 g/mol, XLogP of 5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylimidazo[2,1-b][1,3]thiazole;5,6-dimethylimidazo[2,1-b][1,3]thiazole;5-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 143762185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).