2-(1,3-benzothiazol-2-ylmethylamino)ethanol

C10H12N2OS — CID 15619588

IUPAC2-(1,3-benzothiazol-2-ylmethylamino)ethanol
SMILESOCCNCc1nc2ccccc2s1
InChIInChI=1S/C10H12N2OS/c13-6-5-11-7-10-12-8-3-1-2-4-9(8)14-10/h1-4,11,13H,5-7H2
InChIKeyPMUGPJHBDHSWPK-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.38
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylmethylamino)ethanol

2-(1,3-benzothiazol-2-ylmethylamino)ethanol (PubChem CID 15619588) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethylamino)ethanol
PubChem CID15619588
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(1,3-benzothiazol-2-ylmethylamino)ethanol
SMILESOCCNCc1nc2ccccc2s1
InChIInChI=1S/C10H12N2OS/c13-6-5-11-7-10-12-8-3-1-2-4-9(8)14-10/h1-4,11,13H,5-7H2
InChIKeyPMUGPJHBDHSWPK-UHFFFAOYSA-N
XLogP1.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethylamino)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethylamino)ethanol (CID 15619588) is 2-(1,3-benzothiazol-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethylamino)ethanol is OCCNCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethylamino)ethanol?
The InChIKey is PMUGPJHBDHSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-6-5-11-7-10-12-8-3-1-2-4-9(8)14-10/h1-4,11,13H,5-7H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethylamino)ethanol?
2-(1,3-benzothiazol-2-ylmethylamino)ethanol has a molecular weight of 208.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethylamino)ethanol is sourced from PubChem (CID 15619588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).