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

C6H11N3OS — CID 87788018

IUPAC2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol
SMILESCN(CCO)c1cnc(N)s1
InChIInChI=1S/C6H11N3OS/c1-9(2-3-10)5-4-8-6(7)11-5/h4,10H,2-3H2,1H3,(H2,7,8)
InChIKeyLHJCDAGYHFRWIA-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.15
Rot. Bonds3

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

2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol (PubChem CID 87788018) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol
PubChem CID87788018
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol
SMILESCN(CCO)c1cnc(N)s1
InChIInChI=1S/C6H11N3OS/c1-9(2-3-10)5-4-8-6(7)11-5/h4,10H,2-3H2,1H3,(H2,7,8)
InChIKeyLHJCDAGYHFRWIA-UHFFFAOYSA-N
XLogP0.15
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.15
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)-methylamino]ethanol?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol (CID 87788018) is 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol is CN(CCO)c1cnc(N)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol?
The InChIKey is LHJCDAGYHFRWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-9(2-3-10)5-4-8-6(7)11-5/h4,10H,2-3H2,1H3,(H2,7,8).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol?
2-[(2-amino-1,3-thiazol-5-yl)-methylamino]ethanol has a molecular weight of 173.24 g/mol, XLogP of 0.15, 3 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)-methylamino]ethanol is sourced from PubChem (CID 87788018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).