2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol

C14H11F3N2OS — CID 17412545

IUPAC2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(O)(c2c[nH]c3ccccc23)C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2OS/c1-8-7-21-12(19-8)13(20,14(15,16)17)10-6-18-11-5-3-2-4-9(10)11/h2-7,18,20H,1H3
InChIKeyUHSKOYIFAUHLAI-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.73
Rot. Bonds2

About 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol

2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 17412545) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID17412545
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(O)(c2c[nH]c3ccccc23)C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2OS/c1-8-7-21-12(19-8)13(20,14(15,16)17)10-6-18-11-5-3-2-4-9(10)11/h2-7,18,20H,1H3
InChIKeyUHSKOYIFAUHLAI-UHFFFAOYSA-N
XLogP3.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 17412545) is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc(C(O)(c2c[nH]c3ccccc23)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is UHSKOYIFAUHLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c1-8-7-21-12(19-8)13(20,14(15,16)17)10-6-18-11-5-3-2-4-9(10)11/h2-7,18,20H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 312.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 17412545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).