6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole

C12H8N2O2S — CID 3244537

IUPAC6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole
SMILESc1cn2cc(-c3ccc4c(c3)OCO4)nc2s1
InChIInChI=1S/C12H8N2O2S/c1-2-10-11(16-7-15-10)5-8(1)9-6-14-3-4-17-12(14)13-9/h1-6H,7H2
InChIKeyHYXXORLKYUZUGN-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.79
Rot. Bonds1

About 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole

6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 3244537) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID3244537
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole
SMILESc1cn2cc(-c3ccc4c(c3)OCO4)nc2s1
InChIInChI=1S/C12H8N2O2S/c1-2-10-11(16-7-15-10)5-8(1)9-6-14-3-4-17-12(14)13-9/h1-6H,7H2
InChIKeyHYXXORLKYUZUGN-UHFFFAOYSA-N
XLogP2.79
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole (CID 3244537) is 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole is c1cn2cc(-c3ccc4c(c3)OCO4)nc2s1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is HYXXORLKYUZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c1-2-10-11(16-7-15-10)5-8(1)9-6-14-3-4-17-12(14)13-9/h1-6H,7H2.
What are the key properties of 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole?
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 244.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3244537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).