2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol

C9H17N3O2S — CID 84761983

IUPAC2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
SMILESNCCc1csc(NCCOCCO)n1
InChIInChI=1S/C9H17N3O2S/c10-2-1-8-7-15-9(12-8)11-3-5-14-6-4-13/h7,13H,1-6,10H2,(H,11,12)
InChIKeyKJLDFQBYYGQVEN-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.07
Rot. Bonds8

About 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol

2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol (PubChem CID 84761983) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
PubChem CID84761983
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
SMILESNCCc1csc(NCCOCCO)n1
InChIInChI=1S/C9H17N3O2S/c10-2-1-8-7-15-9(12-8)11-3-5-14-6-4-13/h7,13H,1-6,10H2,(H,11,12)
InChIKeyKJLDFQBYYGQVEN-UHFFFAOYSA-N
XLogP0.07
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine
CID 84761990
3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 84761905
4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 28710980
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 84761995
2-(2-aminoethyl)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66388361
methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758
3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione
CID 84762001
2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol
CID 102768305
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 103081678
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
CID 65209385
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol (CID 84761983) is 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol is NCCc1csc(NCCOCCO)n1.
What is the InChIKey of 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol?
The InChIKey is KJLDFQBYYGQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c10-2-1-8-7-15-9(12-8)11-3-5-14-6-4-13/h7,13H,1-6,10H2,(H,11,12).
What are the key properties of 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol has a molecular weight of 231.32 g/mol, XLogP of 0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 84761983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).