6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole

C15H22N2S — CID 126680970

IUPAC6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole
SMILESC=C(C)C(C)(C)c1c(C(C)(C)C)nc2sccn12
InChIInChI=1S/C15H22N2S/c1-10(2)15(6,7)12-11(14(3,4)5)16-13-17(12)8-9-18-13/h8-9H,1H2,2-7H3
InChIKeyXDBOKQJYKSOCHC-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.55
Rot. Bonds2

About 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole

6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 126680970) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID126680970
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole
SMILESC=C(C)C(C)(C)c1c(C(C)(C)C)nc2sccn12
InChIInChI=1S/C15H22N2S/c1-10(2)15(6,7)12-11(14(3,4)5)16-13-17(12)8-9-18-13/h8-9H,1H2,2-7H3
InChIKeyXDBOKQJYKSOCHC-UHFFFAOYSA-N
XLogP4.55
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole (CID 126680970) is 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole is C=C(C)C(C)(C)c1c(C(C)(C)C)nc2sccn12.
What is the InChIKey of 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is XDBOKQJYKSOCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-10(2)15(6,7)12-11(14(3,4)5)16-13-17(12)8-9-18-13/h8-9H,1H2,2-7H3.
What are the key properties of 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole?
6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 262.42 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 126680970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).