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

C7H13N3OS — CID 69335060

IUPAC2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ncc(N)s1
InChIInChI=1S/C7H13N3OS/c1-2-10(3-4-11)7-9-5-6(8)12-7/h5,11H,2-4,8H2,1H3
InChIKeyAFSRXYQVUBCZOI-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.54
Rot. Bonds4

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

2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol (PubChem CID 69335060) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol
PubChem CID69335060
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ncc(N)s1
InChIInChI=1S/C7H13N3OS/c1-2-10(3-4-11)7-9-5-6(8)12-7/h5,11H,2-4,8H2,1H3
InChIKeyAFSRXYQVUBCZOI-UHFFFAOYSA-N
XLogP0.54
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
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-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol (CID 69335060) is 2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol is CCN(CCO)c1ncc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol?
The InChIKey is AFSRXYQVUBCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-10(3-4-11)7-9-5-6(8)12-7/h5,11H,2-4,8H2,1H3.
What are the key properties of 2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol?
2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol has a molecular weight of 187.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol is sourced from PubChem (CID 69335060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).