3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole

C12H10ClF3N2O2S — CID 118508361

IUPAC3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole
SMILESC[C@@H](Oc1ccc(OCC(F)(F)F)nc1)c1cc(Cl)ns1
InChIInChI=1S/C12H10ClF3N2O2S/c1-7(9-4-10(13)18-21-9)20-8-2-3-11(17-5-8)19-6-12(14,15)16/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyOEVZBWGIKZJPEI-SSDOTTSWSA-N
MW338.74 g/mol
LogP4.27
Rot. Bonds5

About 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole

3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole (PubChem CID 118508361) has the molecular formula C12H10ClF3N2O2S and a molecular weight of 338.74 g/mol. Its IUPAC name is 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole.

Molecular Properties

Compound Name3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole
PubChem CID118508361
Molecular FormulaC12H10ClF3N2O2S
Molecular Weight338.74 g/mol
Exact Mass338.01
IUPAC Name3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole
SMILESC[C@@H](Oc1ccc(OCC(F)(F)F)nc1)c1cc(Cl)ns1
InChIInChI=1S/C12H10ClF3N2O2S/c1-7(9-4-10(13)18-21-9)20-8-2-3-11(17-5-8)19-6-12(14,15)16/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyOEVZBWGIKZJPEI-SSDOTTSWSA-N
XLogP4.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole with MolForge

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677189
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
CID 123782720
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
N-[1-(4-bromothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 107353984
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 115922153
N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 175417341
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55807567
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 64733194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole?
The IUPAC name of 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole (CID 118508361) is 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole.
What is the SMILES notation for 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole?
The canonical SMILES for 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole is C[C@@H](Oc1ccc(OCC(F)(F)F)nc1)c1cc(Cl)ns1.
What is the InChIKey of 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole?
The InChIKey is OEVZBWGIKZJPEI-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2S/c1-7(9-4-10(13)18-21-9)20-8-2-3-11(17-5-8)19-6-12(14,15)16/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole?
3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole has a molecular weight of 338.74 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(1R)-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]ethyl]-1,2-thiazole is sourced from PubChem (CID 118508361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).