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

C11H17N3S2 — CID 63818995

IUPAC2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
SMILESCCCCSc1nc2sccn2c1CCN
InChIInChI=1S/C11H17N3S2/c1-2-3-7-15-10-9(4-5-12)14-6-8-16-11(14)13-10/h6,8H,2-5,7,12H2,1H3
InChIKeyJFGYTDCULNHBGZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.79
Rot. Bonds6

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

2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine (PubChem CID 63818995) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
PubChem CID63818995
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
SMILESCCCCSc1nc2sccn2c1CCN
InChIInChI=1S/C11H17N3S2/c1-2-3-7-15-10-9(4-5-12)14-6-8-16-11(14)13-10/h6,8H,2-5,7,12H2,1H3
InChIKeyJFGYTDCULNHBGZ-UHFFFAOYSA-N
XLogP2.79
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The IUPAC name of 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine (CID 63818995) is 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine is CCCCSc1nc2sccn2c1CCN.
What is the InChIKey of 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
The InChIKey is JFGYTDCULNHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-2-3-7-15-10-9(4-5-12)14-6-8-16-11(14)13-10/h6,8H,2-5,7,12H2,1H3.
What are the key properties of 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine?
2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine has a molecular weight of 255.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine is sourced from PubChem (CID 63818995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).