2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol

C15H19N3OS — CID 139804016

IUPAC2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol
SMILESCC(C)(C)c1cn2c(n1)sc1cc(NCCO)ccc12
InChIInChI=1S/C15H19N3OS/c1-15(2,3)13-9-18-11-5-4-10(16-6-7-19)8-12(11)20-14(18)17-13/h4-5,8-9,16,19H,6-7H2,1-3H3
InChIKeyZHOXEMIHOROYGR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.25
Rot. Bonds3

About 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol

2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol (PubChem CID 139804016) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol
PubChem CID139804016
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol
SMILESCC(C)(C)c1cn2c(n1)sc1cc(NCCO)ccc12
InChIInChI=1S/C15H19N3OS/c1-15(2,3)13-9-18-11-5-4-10(16-6-7-19)8-12(11)20-14(18)17-13/h4-5,8-9,16,19H,6-7H2,1-3H3
InChIKeyZHOXEMIHOROYGR-UHFFFAOYSA-N
XLogP3.25
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol?
The IUPAC name of 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol (CID 139804016) is 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol?
The canonical SMILES for 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol is CC(C)(C)c1cn2c(n1)sc1cc(NCCO)ccc12.
What is the InChIKey of 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol?
The InChIKey is ZHOXEMIHOROYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)13-9-18-11-5-4-10(16-6-7-19)8-12(11)20-14(18)17-13/h4-5,8-9,16,19H,6-7H2,1-3H3.
What are the key properties of 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol?
2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol has a molecular weight of 289.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]ethanol is sourced from PubChem (CID 139804016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).