2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol

C11H15N3O2S — CID 139379111

IUPAC2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol
SMILESNN(CCOCCO)c1nc2ccccc2s1
InChIInChI=1S/C11H15N3O2S/c12-14(5-7-16-8-6-15)11-13-9-3-1-2-4-10(9)17-11/h1-4,15H,5-8,12H2
InChIKeyHCKJQMOWPCCJLU-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.99
Rot. Bonds6

About 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol

2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol (PubChem CID 139379111) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol
PubChem CID139379111
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol
SMILESNN(CCOCCO)c1nc2ccccc2s1
InChIInChI=1S/C11H15N3O2S/c12-14(5-7-16-8-6-15)11-13-9-3-1-2-4-10(9)17-11/h1-4,15H,5-8,12H2
InChIKeyHCKJQMOWPCCJLU-UHFFFAOYSA-N
XLogP0.99
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine
CID 118066757
3-[1,3-benzothiazol-2-yl(propan-2-yl)amino]propan-1-ol
CID 61146234
methyl N-amino-N-(1,3-benzothiazol-2-yl)carbamate
CID 77174878
N-(2-butoxyethyl)-N-[(E)-ethylideneamino]-1,3-benzothiazol-2-amine
CID 162491231
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
3-(1,3-benzothiazol-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654358
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62004564
N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494250
N-[(E)-[3-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine
CID 162697530
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
CID 7294703

Frequently Asked Questions

What is the IUPAC name of 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol (CID 139379111) is 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol is NN(CCOCCO)c1nc2ccccc2s1.
What is the InChIKey of 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol?
The InChIKey is HCKJQMOWPCCJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-14(5-7-16-8-6-15)11-13-9-3-1-2-4-10(9)17-11/h1-4,15H,5-8,12H2.
What are the key properties of 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol?
2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol has a molecular weight of 253.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 139379111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).