N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine

C11H14N2OS — CID 107804703

IUPACN-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
SMILESCCOCCNc1ccc2ncsc2c1
InChIInChI=1S/C11H14N2OS/c1-2-14-6-5-12-9-3-4-10-11(7-9)15-8-13-10/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyRSIVSFUOLHESLY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.74
Rot. Bonds5

About N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine

N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine (PubChem CID 107804703) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
PubChem CID107804703
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
SMILESCCOCCNc1ccc2ncsc2c1
InChIInChI=1S/C11H14N2OS/c1-2-14-6-5-12-9-3-4-10-11(7-9)15-8-13-10/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyRSIVSFUOLHESLY-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
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 N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine (CID 107804703) is N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine is CCOCCNc1ccc2ncsc2c1.
What is the InChIKey of N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine?
The InChIKey is RSIVSFUOLHESLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-14-6-5-12-9-3-4-10-11(7-9)15-8-13-10/h3-4,7-8,12H,2,5-6H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine?
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine has a molecular weight of 222.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107804703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).