5-(2-phenylethyl)-1,2-benzothiazole

C15H13NS — CID 54461189

IUPAC5-(2-phenylethyl)-1,2-benzothiazole
SMILESc1ccc(CCc2ccc3sncc3c2)cc1
InChIInChI=1S/C15H13NS/c1-2-4-12(5-3-1)6-7-13-8-9-15-14(10-13)11-16-17-15/h1-5,8-11H,6-7H2
InChIKeyHZADYUCVFPTBGB-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.08
Rot. Bonds3

About 5-(2-phenylethyl)-1,2-benzothiazole

5-(2-phenylethyl)-1,2-benzothiazole (PubChem CID 54461189) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1,2-benzothiazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-1,2-benzothiazole
PubChem CID54461189
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name5-(2-phenylethyl)-1,2-benzothiazole
SMILESc1ccc(CCc2ccc3sncc3c2)cc1
InChIInChI=1S/C15H13NS/c1-2-4-12(5-3-1)6-7-13-8-9-15-14(10-13)11-16-17-15/h1-5,8-11H,6-7H2
InChIKeyHZADYUCVFPTBGB-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1,2-benzothiazole?
The IUPAC name of 5-(2-phenylethyl)-1,2-benzothiazole (CID 54461189) is 5-(2-phenylethyl)-1,2-benzothiazole.
What is the SMILES notation for 5-(2-phenylethyl)-1,2-benzothiazole?
The canonical SMILES for 5-(2-phenylethyl)-1,2-benzothiazole is c1ccc(CCc2ccc3sncc3c2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-1,2-benzothiazole?
The InChIKey is HZADYUCVFPTBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-2-4-12(5-3-1)6-7-13-8-9-15-14(10-13)11-16-17-15/h1-5,8-11H,6-7H2.
What are the key properties of 5-(2-phenylethyl)-1,2-benzothiazole?
5-(2-phenylethyl)-1,2-benzothiazole has a molecular weight of 239.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1,2-benzothiazole is sourced from PubChem (CID 54461189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).