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

C12H12N4S2 — CID 142243587

IUPAC3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2ccsc2n1.Cc1csc2cncn12
InChIInChI=1S/2C6H6N2S/c1-5-3-9-6-2-7-4-8(5)6;1-5-4-8-2-3-9-6(8)7-5/h2*2-4H,1H3
InChIKeyAKKXWLYPRXTQED-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.41
Rot. Bonds

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

3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 142243587) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID142243587
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC Name3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2ccsc2n1.Cc1csc2cncn12
InChIInChI=1S/2C6H6N2S/c1-5-3-9-6-2-7-4-8(5)6;1-5-4-8-2-3-9-6(8)7-5/h2*2-4H,1H3
InChIKeyAKKXWLYPRXTQED-UHFFFAOYSA-N
XLogP3.41
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole (CID 142243587) is 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole is Cc1cn2ccsc2n1.Cc1csc2cncn12.
What is the InChIKey of 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is AKKXWLYPRXTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6N2S/c1-5-3-9-6-2-7-4-8(5)6;1-5-4-8-2-3-9-6(8)7-5/h2*2-4H,1H3.
What are the key properties of 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole?
3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 276.39 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[5,1-b][1,3]thiazole;6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 142243587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).