1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol

C16H15NOS — CID 52942726

IUPAC1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)c1nc2ccccc2s1
InChIInChI=1S/C16H15NOS/c1-11-7-3-4-8-12(11)16(2,18)15-17-13-9-5-6-10-14(13)19-15/h3-10,18H,1-2H3
InChIKeyQAZWUNUZWJINQB-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.86
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol

1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol (PubChem CID 52942726) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol
PubChem CID52942726
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)c1nc2ccccc2s1
InChIInChI=1S/C16H15NOS/c1-11-7-3-4-8-12(11)16(2,18)15-17-13-9-5-6-10-14(13)19-15/h3-10,18H,1-2H3
InChIKeyQAZWUNUZWJINQB-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol (CID 52942726) is 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol is Cc1ccccc1C(C)(O)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol?
The InChIKey is QAZWUNUZWJINQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-11-7-3-4-8-12(11)16(2,18)15-17-13-9-5-6-10-14(13)19-15/h3-10,18H,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol?
1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol has a molecular weight of 269.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 52942726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).