2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole

C14H10F3N3S — CID 127266508

IUPAC2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole
SMILESFC(F)(F)Cn1ccnc1C=Cc1nc2ccccc2s1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)9-20-8-7-18-12(20)5-6-13-19-10-3-1-2-4-11(10)21-13/h1-8H,9H2
InChIKeyVWVYHTYJFXTGHX-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.23
Rot. Bonds3

About 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole

2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole (PubChem CID 127266508) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole
PubChem CID127266508
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole
SMILESFC(F)(F)Cn1ccnc1C=Cc1nc2ccccc2s1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)9-20-8-7-18-12(20)5-6-13-19-10-3-1-2-4-11(10)21-13/h1-8H,9H2
InChIKeyVWVYHTYJFXTGHX-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 7966865
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
2-(4-pyridin-2-ylbuta-1,3-dienyl)-1,3-benzothiazole
CID 155776746
2-[(E)-2-(2-pyridin-4-yl-1,3-thiazol-5-yl)ethenyl]-1,3-benzothiazole
CID 166231756
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
5-methyl-2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126806517
2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 75890376
2-[[4-[2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]methylidene]propanedinitrile
CID 71374813
2-[(E)-2-(4-azidophenyl)ethenyl]-1,3-benzothiazole
CID 71665743

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole (CID 127266508) is 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole is FC(F)(F)Cn1ccnc1C=Cc1nc2ccccc2s1.
What is the InChIKey of 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole?
The InChIKey is VWVYHTYJFXTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-14(16,17)9-20-8-7-18-12(20)5-6-13-19-10-3-1-2-4-11(10)21-13/h1-8H,9H2.
What are the key properties of 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole?
2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole has a molecular weight of 309.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 127266508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).