2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole

C12H14F3N3S2 — CID 75374521

IUPAC2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole
SMILESCCc1nc(CSCc2nccn2CC(F)(F)F)cs1
InChIInChI=1S/C12H14F3N3S2/c1-2-11-17-9(6-20-11)5-19-7-10-16-3-4-18(10)8-12(13,14)15/h3-4,6H,2,5,7-8H2,1H3
InChIKeyMYIZCDRHCOIUSI-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.90
Rot. Bonds6

About 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole

2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole (PubChem CID 75374521) has the molecular formula C12H14F3N3S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole
PubChem CID75374521
Molecular FormulaC12H14F3N3S2
Molecular Weight321.39 g/mol
Exact Mass321.06
IUPAC Name2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole
SMILESCCc1nc(CSCc2nccn2CC(F)(F)F)cs1
InChIInChI=1S/C12H14F3N3S2/c1-2-11-17-9(6-20-11)5-19-7-10-16-3-4-18(10)8-12(13,14)15/h3-4,6H,2,5,7-8H2,1H3
InChIKeyMYIZCDRHCOIUSI-UHFFFAOYSA-N
XLogP3.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole (CID 75374521) is 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole is CCc1nc(CSCc2nccn2CC(F)(F)F)cs1.
What is the InChIKey of 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole?
The InChIKey is MYIZCDRHCOIUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S2/c1-2-11-17-9(6-20-11)5-19-7-10-16-3-4-18(10)8-12(13,14)15/h3-4,6H,2,5,7-8H2,1H3.
What are the key properties of 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole?
2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole has a molecular weight of 321.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 75374521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).