2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine

C14H23N3S — CID 82062532

IUPAC2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
SMILESCC(C)c1nc2scc(C(C)(C)C)n2c1CCN
InChIInChI=1S/C14H23N3S/c1-9(2)12-10(6-7-15)17-11(14(3,4)5)8-18-13(17)16-12/h8-9H,6-7,15H2,1-5H3
InChIKeyIICDFASKKAUGNE-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.32
Rot. Bonds3

About 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine

2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine (PubChem CID 82062532) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
PubChem CID82062532
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
SMILESCC(C)c1nc2scc(C(C)(C)C)n2c1CCN
InChIInChI=1S/C14H23N3S/c1-9(2)12-10(6-7-15)17-11(14(3,4)5)8-18-13(17)16-12/h8-9H,6-7,15H2,1-5H3
InChIKeyIICDFASKKAUGNE-UHFFFAOYSA-N
XLogP3.32
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine (CID 82062532) is 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine is CC(C)c1nc2scc(C(C)(C)C)n2c1CCN.
What is the InChIKey of 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The InChIKey is IICDFASKKAUGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-9(2)12-10(6-7-15)17-11(14(3,4)5)8-18-13(17)16-12/h8-9H,6-7,15H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine has a molecular weight of 265.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine is sourced from PubChem (CID 82062532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).