2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine

C15H25N3S — CID 82054797

IUPAC2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
SMILESCC(C)(C)c1nc2scc(C(C)(C)C)n2c1CCN
InChIInChI=1S/C15H25N3S/c1-14(2,3)11-9-19-13-17-12(15(4,5)6)10(7-8-16)18(11)13/h9H,7-8,16H2,1-6H3
InChIKeyINTZGQKUUGMJPH-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.49
Rot. Bonds2

About 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine

2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine (PubChem CID 82054797) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
PubChem CID82054797
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
SMILESCC(C)(C)c1nc2scc(C(C)(C)C)n2c1CCN
InChIInChI=1S/C15H25N3S/c1-14(2,3)11-9-19-13-17-12(15(4,5)6)10(7-8-16)18(11)13/h9H,7-8,16H2,1-6H3
InChIKeyINTZGQKUUGMJPH-UHFFFAOYSA-N
XLogP3.49
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The IUPAC name of 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine (CID 82054797) is 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine is CC(C)(C)c1nc2scc(C(C)(C)C)n2c1CCN.
What is the InChIKey of 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The InChIKey is INTZGQKUUGMJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-14(2,3)11-9-19-13-17-12(15(4,5)6)10(7-8-16)18(11)13/h9H,7-8,16H2,1-6H3.
What are the key properties of 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine is sourced from PubChem (CID 82054797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).