(1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol

C15H13NOS — CID 51641448

IUPAC(1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol
SMILESO[C@@H](Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H13NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9,13,17H,10H2/t13-/m0/s1
InChIKeyOGBGGQCTNRJNCT-ZDUSSCGKSA-N
MW255.34 g/mol
LogP3.57
Rot. Bonds3

About (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol

(1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol (PubChem CID 51641448) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol
PubChem CID51641448
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name(1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol
SMILESO[C@@H](Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H13NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9,13,17H,10H2/t13-/m0/s1
InChIKeyOGBGGQCTNRJNCT-ZDUSSCGKSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol?
The IUPAC name of (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol (CID 51641448) is (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol.
What is the SMILES notation for (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol?
The canonical SMILES for (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol is O[C@@H](Cc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol?
The InChIKey is OGBGGQCTNRJNCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9,13,17H,10H2/t13-/m0/s1.
What are the key properties of (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol?
(1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol has a molecular weight of 255.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1,3-benzothiazol-2-yl)-1-phenylethanol is sourced from PubChem (CID 51641448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).