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

C12H19N3S — CID 82062531

IUPAC2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
SMILESCc1nc2scc(C(C)(C)C)n2c1CCN
InChIInChI=1S/C12H19N3S/c1-8-9(5-6-13)15-10(12(2,3)4)7-16-11(15)14-8/h7H,5-6,13H2,1-4H3
InChIKeyKNNTVPSASMTMJM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.50
Rot. Bonds2

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

2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine (PubChem CID 82062531) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
PubChem CID82062531
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
SMILESCc1nc2scc(C(C)(C)C)n2c1CCN
InChIInChI=1S/C12H19N3S/c1-8-9(5-6-13)15-10(12(2,3)4)7-16-11(15)14-8/h7H,5-6,13H2,1-4H3
InChIKeyKNNTVPSASMTMJM-UHFFFAOYSA-N
XLogP2.50
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.50
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-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine (CID 82062531) is 2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine is Cc1nc2scc(C(C)(C)C)n2c1CCN.
What is the InChIKey of 2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The InChIKey is KNNTVPSASMTMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8-9(5-6-13)15-10(12(2,3)4)7-16-11(15)14-8/h7H,5-6,13H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
2-(3-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.50, 2 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-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine is sourced from PubChem (CID 82062531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).