2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol

C10H16N2OS — CID 46784936

IUPAC2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol
SMILESOCCNCc1nc2c(s1)CCCC2
InChIInChI=1S/C10H16N2OS/c13-6-5-11-7-10-12-8-3-1-2-4-9(8)14-10/h11,13H,1-7H2
InChIKeyULCUQFSNVLMHJN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.10
Rot. Bonds4

About 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol

2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol (PubChem CID 46784936) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol
PubChem CID46784936
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol
SMILESOCCNCc1nc2c(s1)CCCC2
InChIInChI=1S/C10H16N2OS/c13-6-5-11-7-10-12-8-3-1-2-4-9(8)14-10/h11,13H,1-7H2
InChIKeyULCUQFSNVLMHJN-UHFFFAOYSA-N
XLogP1.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.10
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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol (CID 46784936) is 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol is OCCNCc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol?
The InChIKey is ULCUQFSNVLMHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-6-5-11-7-10-12-8-3-1-2-4-9(8)14-10/h11,13H,1-7H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol?
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol has a molecular weight of 212.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethanol is sourced from PubChem (CID 46784936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).