6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine

C12H19N3S — CID 82068819

IUPAC6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1c(C)sc2nc(C(C)(C)C)c(N)n12
InChIInChI=1S/C12H19N3S/c1-6-8-7(2)16-11-14-9(12(3,4)5)10(13)15(8)11/h6,13H2,1-5H3
InChIKeyVRJWXQYRSVXGDZ-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.15
Rot. Bonds1

About 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine

6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 82068819) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID82068819
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1c(C)sc2nc(C(C)(C)C)c(N)n12
InChIInChI=1S/C12H19N3S/c1-6-8-7(2)16-11-14-9(12(3,4)5)10(13)15(8)11/h6,13H2,1-5H3
InChIKeyVRJWXQYRSVXGDZ-UHFFFAOYSA-N
XLogP3.15
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine (CID 82068819) is 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine is CCc1c(C)sc2nc(C(C)(C)C)c(N)n12.
What is the InChIKey of 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is VRJWXQYRSVXGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-6-8-7(2)16-11-14-9(12(3,4)5)10(13)15(8)11/h6,13H2,1-5H3.
What are the key properties of 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine?
6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 237.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 82068819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).