2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol

C12H15N3OS — CID 63231382

IUPAC2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol
SMILESNc1ccc2nc(N(CCO)C3CC3)sc2c1
InChIInChI=1S/C12H15N3OS/c13-8-1-4-10-11(7-8)17-12(14-10)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,13H2
InChIKeyBMEUFXCIFIMJSP-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.84
Rot. Bonds4

About 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol

2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol (PubChem CID 63231382) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol
PubChem CID63231382
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol
SMILESNc1ccc2nc(N(CCO)C3CC3)sc2c1
InChIInChI=1S/C12H15N3OS/c13-8-1-4-10-11(7-8)17-12(14-10)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,13H2
InChIKeyBMEUFXCIFIMJSP-UHFFFAOYSA-N
XLogP1.84
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
CID 63231458
2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine
CID 63231075
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 63231251
2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231248
3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol
CID 63231417
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine
CID 63231299
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
CID 64624732
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63233465
2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63405939
2-[(6-amino-1,3-benzothiazol-2-yl)-(cyanomethyl)amino]acetonitrile
CID 63231234
N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
2-N-[3-(diethylamino)propyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 68770772

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol (CID 63231382) is 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol is Nc1ccc2nc(N(CCO)C3CC3)sc2c1.
What is the InChIKey of 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol?
The InChIKey is BMEUFXCIFIMJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-8-1-4-10-11(7-8)17-12(14-10)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,13H2.
What are the key properties of 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol?
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol has a molecular weight of 249.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 63231382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).