2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol

C10H12N2O2S — CID 45077316

IUPAC2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol
SMILESNc1ccc2sc(COCCO)nc2c1
InChIInChI=1S/C10H12N2O2S/c11-7-1-2-9-8(5-7)12-10(15-9)6-14-4-3-13/h1-2,5,13H,3-4,6,11H2
InChIKeyOXMRZKSGBCTHEL-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.39
Rot. Bonds4

About 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol

2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol (PubChem CID 45077316) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol
PubChem CID45077316
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol
SMILESNc1ccc2sc(COCCO)nc2c1
InChIInChI=1S/C10H12N2O2S/c11-7-1-2-9-8(5-7)12-10(15-9)6-14-4-3-13/h1-2,5,13H,3-4,6,11H2
InChIKeyOXMRZKSGBCTHEL-UHFFFAOYSA-N
XLogP1.39
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
1,3-benzothiazol-2-ylmethyl 4-amino-2-methylbenzoate
CID 115610554
2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
CID 79512407
2-(trifluoromethyl)-1,3-benzothiazol-5-amine
CID 45077489
2-propan-2-yl-1,3-benzothiazol-5-amine
CID 69263682
4-[3-[(5-amino-1,3-benzothiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]-3-methylphenol
CID 136592012
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247
2-[(2-aminoquinolin-7-yl)methoxy]ethanol
CID 11378974
3-chloro-4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]aniline
CID 22148883
O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine
CID 67543881
1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
CID 66002968
2-propylsulfanyl-1,3-benzothiazol-5-amine
CID 130664278

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol?
The IUPAC name of 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol (CID 45077316) is 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol?
The canonical SMILES for 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol is Nc1ccc2sc(COCCO)nc2c1.
What is the InChIKey of 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol?
The InChIKey is OXMRZKSGBCTHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-7-1-2-9-8(5-7)12-10(15-9)6-14-4-3-13/h1-2,5,13H,3-4,6,11H2.
What are the key properties of 2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol?
2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol has a molecular weight of 224.28 g/mol, XLogP of 1.39, 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-benzothiazol-2-yl)methoxy]ethanol is sourced from PubChem (CID 45077316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).