2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol

C8H15N3OS — CID 79771354

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cnc(N)s1
InChIInChI=1S/C8H15N3OS/c1-2-11(3-4-12)6-7-5-10-8(9)13-7/h5,12H,2-4,6H2,1H3,(H2,9,10)
InChIKeyKLEJOUVRCKLNJG-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.54
Rot. Bonds5

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

2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol (PubChem CID 79771354) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol
PubChem CID79771354
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cnc(N)s1
InChIInChI=1S/C8H15N3OS/c1-2-11(3-4-12)6-7-5-10-8(9)13-7/h5,12H,2-4,6H2,1H3,(H2,9,10)
InChIKeyKLEJOUVRCKLNJG-UHFFFAOYSA-N
XLogP0.54
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol (CID 79771354) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol is CCN(CCO)Cc1cnc(N)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol?
The InChIKey is KLEJOUVRCKLNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-11(3-4-12)6-7-5-10-8(9)13-7/h5,12H,2-4,6H2,1H3,(H2,9,10).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol?
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol has a molecular weight of 201.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]ethanol is sourced from PubChem (CID 79771354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).