1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol

C17H11F3N2OS — CID 17390823

IUPAC1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
SMILESOC(c1nc2ccccc2s1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)16(23,11-9-21-12-6-2-1-5-10(11)12)15-22-13-7-3-4-8-14(13)24-15/h1-9,21,23H
InChIKeyIGPTWYSKNZTNGY-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.58
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol

1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol (PubChem CID 17390823) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
PubChem CID17390823
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC Name1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
SMILESOC(c1nc2ccccc2s1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)16(23,11-9-21-12-6-2-1-5-10(11)12)15-22-13-7-3-4-8-14(13)24-15/h1-9,21,23H
InChIKeyIGPTWYSKNZTNGY-UHFFFAOYSA-N
XLogP4.58
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanol
CID 168281419
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanol
CID 16361569
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 17412545
1-(1,3-Benzothiazol-2-yl)-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2,2,2-trifluoroethanol
CID 17548723
1-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-indol-5-yl)-2,2,2-trifluoroethanol
CID 42952173
1-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoro-1-(6-methyl-1,2,3,4-tetrahydroquinolin-8-yl)ethanol
CID 47079782
1-(2-Amino-4-pyrrolidin-1-ylphenyl)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol
CID 101507255
1-(2-Aminophenyl)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol
CID 134832658
1-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoro-1-[4-(methylamino)phenyl]ethanol
CID 134832692
(1R)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol;hydrate
CID 168331175
N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzo[d]thiazole-2-carboxamide
CID 71788667
4,5,7-trifluoro-2-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzothiazole
CID 17922369

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol (CID 17390823) is 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol is OC(c1nc2ccccc2s1)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The InChIKey is IGPTWYSKNZTNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c18-17(19,20)16(23,11-9-21-12-6-2-1-5-10(11)12)15-22-13-7-3-4-8-14(13)24-15/h1-9,21,23H.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol has a molecular weight of 348.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 17390823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).