1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol

C19H15NOS — CID 52945075

IUPAC1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol
SMILESCC(O)(c1ccc2ccccc2c1)c1nc2ccccc2s1
InChIInChI=1S/C19H15NOS/c1-19(21,18-20-16-8-4-5-9-17(16)22-18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,21H,1H3
InChIKeyZOHCEYGJHAVSKT-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.71
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol

1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol (PubChem CID 52945075) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol
PubChem CID52945075
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol
SMILESCC(O)(c1ccc2ccccc2c1)c1nc2ccccc2s1
InChIInChI=1S/C19H15NOS/c1-19(21,18-20-16-8-4-5-9-17(16)22-18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,21H,1H3
InChIKeyZOHCEYGJHAVSKT-UHFFFAOYSA-N
XLogP4.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AC265347
CID 52943938
3-(4-Benzothiazol-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 44332042
Benzothiazol-2-yl-phenyl-methanol
CID 257798
[2-(1,3-Benzothiazol-2-yl)phenyl]methanol
CID 4596794
(1S)-1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 46947061
1-(1,3-Benzothiazol-2-yl)-1-(2-methylphenyl)ethanol
CID 52942726
1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol
CID 52945768
2-Benzothiazolemethanol, I+/--(4-chloro-2-methylphenyl)-I+/--methyl-
CID 52946369
1-(1,3-Benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 52947599
(1R)-1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 52947600
1,3-Benzothiazol-2-yl-cyclopropyl-(2,4-dimethylphenyl)methanol
CID 52948734
1-(1,3-Benzothiazol-2-yl)-1-(4-chlorophenyl)ethanol
CID 52949984

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol (CID 52945075) is 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol is CC(O)(c1ccc2ccccc2c1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol?
The InChIKey is ZOHCEYGJHAVSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c1-19(21,18-20-16-8-4-5-9-17(16)22-18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,21H,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol?
1-(1,3-benzothiazol-2-yl)-1-naphthalen-2-ylethanol has a molecular weight of 305.40 g/mol, XLogP of 4.71, 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-naphthalen-2-ylethanol is sourced from PubChem (CID 52945075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).