[(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate

C17H13F3N2O2S — CID 97073663

IUPAC[(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate
SMILESCc1csc([C@@H](OC(=O)Cc2cccc3cccnc23)C(F)(F)F)n1
InChIInChI=1S/C17H13F3N2O2S/c1-10-9-25-16(22-10)15(17(18,19)20)24-13(23)8-12-5-2-4-11-6-3-7-21-14(11)12/h2-7,9,15H,8H2,1H3/t15-/m1/s1
InChIKeyBBLHLBKTGFLEGE-OAHLLOKOSA-N
MW366.36 g/mol
LogP4.39
Rot. Bonds4

About [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate

[(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate (PubChem CID 97073663) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate.

Molecular Properties

Compound Name[(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate
PubChem CID97073663
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name[(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate
SMILESCc1csc([C@@H](OC(=O)Cc2cccc3cccnc23)C(F)(F)F)n1
InChIInChI=1S/C17H13F3N2O2S/c1-10-9-25-16(22-10)15(17(18,19)20)24-13(23)8-12-5-2-4-11-6-3-7-21-14(11)12/h2-7,9,15H,8H2,1H3/t15-/m1/s1
InChIKeyBBLHLBKTGFLEGE-OAHLLOKOSA-N
XLogP4.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-quinolin-8-ylacetate
CID 52562898
1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 63090006
[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 4-carbamoylbenzoate
CID 71976385
[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 3,5-dimethylbenzoate
CID 78793684
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 42937435
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 55561808
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 46688074
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
CID 47042479
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate
CID 103522381
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate?
The IUPAC name of [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate (CID 97073663) is [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate.
What is the SMILES notation for [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate?
The canonical SMILES for [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate is Cc1csc([C@@H](OC(=O)Cc2cccc3cccnc23)C(F)(F)F)n1.
What is the InChIKey of [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate?
The InChIKey is BBLHLBKTGFLEGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-10-9-25-16(22-10)15(17(18,19)20)24-13(23)8-12-5-2-4-11-6-3-7-21-14(11)12/h2-7,9,15H,8H2,1H3/t15-/m1/s1.
What are the key properties of [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate?
[(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate has a molecular weight of 366.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate is sourced from PubChem (CID 97073663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).