5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine

C10H12N2OS2 — CID 43451611

IUPAC5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine
SMILESCOCCSc1ccc2scnc2c1N
InChIInChI=1S/C10H12N2OS2/c1-13-4-5-14-7-2-3-8-10(9(7)11)12-6-15-8/h2-3,6H,4-5,11H2,1H3
InChIKeyRJQKUKYEOCNWJA-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.62
Rot. Bonds4

About 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine

5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine (PubChem CID 43451611) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine
PubChem CID43451611
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine
SMILESCOCCSc1ccc2scnc2c1N
InChIInChI=1S/C10H12N2OS2/c1-13-4-5-14-7-2-3-8-10(9(7)11)12-6-15-8/h2-3,6H,4-5,11H2,1H3
InChIKeyRJQKUKYEOCNWJA-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine (CID 43451611) is 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine is COCCSc1ccc2scnc2c1N.
What is the InChIKey of 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine?
The InChIKey is RJQKUKYEOCNWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-13-4-5-14-7-2-3-8-10(9(7)11)12-6-15-8/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine?
5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine has a molecular weight of 240.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfanyl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43451611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).