2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol

C11H20N2OS — CID 62961014

IUPAC2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
SMILESCCCCN(CCO)c1nc(CC)cs1
InChIInChI=1S/C11H20N2OS/c1-3-5-6-13(7-8-14)11-12-10(4-2)9-15-11/h9,14H,3-8H2,1-2H3
InChIKeyNQQIPQVFGYCVGR-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.30
Rot. Bonds7

About 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol

2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol (PubChem CID 62961014) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
PubChem CID62961014
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
SMILESCCCCN(CCO)c1nc(CC)cs1
InChIInChI=1S/C11H20N2OS/c1-3-5-6-13(7-8-14)11-12-10(4-2)9-15-11/h9,14H,3-8H2,1-2H3
InChIKeyNQQIPQVFGYCVGR-UHFFFAOYSA-N
XLogP2.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol?
The IUPAC name of 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol (CID 62961014) is 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol is CCCCN(CCO)c1nc(CC)cs1.
What is the InChIKey of 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol?
The InChIKey is NQQIPQVFGYCVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-5-6-13(7-8-14)11-12-10(4-2)9-15-11/h9,14H,3-8H2,1-2H3.
What are the key properties of 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol?
2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol has a molecular weight of 228.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol is sourced from PubChem (CID 62961014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).