5,6-ditert-butylimidazo[2,1-b][1,3]thiazole

C13H20N2S — CID 20628520

IUPAC5,6-ditert-butylimidazo[2,1-b][1,3]thiazole
SMILESCC(C)(C)c1nc2sccn2c1C(C)(C)C
InChIInChI=1S/C13H20N2S/c1-12(2,3)9-10(13(4,5)6)15-7-8-16-11(15)14-9/h7-8H,1-6H3
InChIKeyTXMGWYIRRZEGSN-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.99
Rot. Bonds

About 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole

5,6-ditert-butylimidazo[2,1-b][1,3]thiazole (PubChem CID 20628520) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5,6-ditert-butylimidazo[2,1-b][1,3]thiazole
PubChem CID20628520
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name5,6-ditert-butylimidazo[2,1-b][1,3]thiazole
SMILESCC(C)(C)c1nc2sccn2c1C(C)(C)C
InChIInChI=1S/C13H20N2S/c1-12(2,3)9-10(13(4,5)6)15-7-8-16-11(15)14-9/h7-8H,1-6H3
InChIKeyTXMGWYIRRZEGSN-UHFFFAOYSA-N
XLogP3.99
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone
CID 4878180
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 63813355
[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63807450
6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62145089
2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
CID 2328534
3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068628
tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane
CID 139890396
N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149826
4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene
CID 22153560
7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470636

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole (CID 20628520) is 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole is CC(C)(C)c1nc2sccn2c1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole?
The InChIKey is TXMGWYIRRZEGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-12(2,3)9-10(13(4,5)6)15-7-8-16-11(15)14-9/h7-8H,1-6H3.
What are the key properties of 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole?
5,6-ditert-butylimidazo[2,1-b][1,3]thiazole has a molecular weight of 236.38 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 20628520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).