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

C9H17N3OS — CID 102767863

IUPAC2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol
SMILESCCCCN(CCO)c1ncc(N)s1
InChIInChI=1S/C9H17N3OS/c1-2-3-4-12(5-6-13)9-11-7-8(10)14-9/h7,13H,2-6,10H2,1H3
InChIKeyHMTSUYPUYBMKDJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.32
Rot. Bonds6

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

2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol (PubChem CID 102767863) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol
PubChem CID102767863
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol
SMILESCCCCN(CCO)c1ncc(N)s1
InChIInChI=1S/C9H17N3OS/c1-2-3-4-12(5-6-13)9-11-7-8(10)14-9/h7,13H,2-6,10H2,1H3
InChIKeyHMTSUYPUYBMKDJ-UHFFFAOYSA-N
XLogP1.32
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.32
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)-butylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol (CID 102767863) is 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol is CCCCN(CCO)c1ncc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol?
The InChIKey is HMTSUYPUYBMKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-3-4-12(5-6-13)9-11-7-8(10)14-9/h7,13H,2-6,10H2,1H3.
What are the key properties of 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol?
2-[(5-amino-1,3-thiazol-2-yl)-butylamino]ethanol has a molecular weight of 215.32 g/mol, XLogP of 1.32, 6 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)-butylamino]ethanol is sourced from PubChem (CID 102767863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).