2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol

C13H23N3O2S — CID 111753088

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
SMILESCc1ncc(CN(CCO)CCN2CCOCC2)s1
InChIInChI=1S/C13H23N3O2S/c1-12-14-10-13(19-12)11-16(4-7-17)3-2-15-5-8-18-9-6-15/h10,17H,2-9,11H2,1H3
InChIKeyLVIXZZOVLBITMZ-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.58
Rot. Bonds7

About 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol

2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol (PubChem CID 111753088) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
PubChem CID111753088
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
SMILESCc1ncc(CN(CCO)CCN2CCOCC2)s1
InChIInChI=1S/C13H23N3O2S/c1-12-14-10-13(19-12)11-16(4-7-17)3-2-15-5-8-18-9-6-15/h10,17H,2-9,11H2,1H3
InChIKeyLVIXZZOVLBITMZ-UHFFFAOYSA-N
XLogP0.58
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol (CID 111753088) is 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol is Cc1ncc(CN(CCO)CCN2CCOCC2)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The InChIKey is LVIXZZOVLBITMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12-14-10-13(19-12)11-16(4-7-17)3-2-15-5-8-18-9-6-15/h10,17H,2-9,11H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol has a molecular weight of 285.41 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol is sourced from PubChem (CID 111753088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).