3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile

C11H9F3N4S — CID 126823873

IUPAC3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile
SMILESCc1ncsc1CCn1cnc(C(F)(F)F)c1C#N
InChIInChI=1S/C11H9F3N4S/c1-7-9(19-6-17-7)2-3-18-5-16-10(8(18)4-15)11(12,13)14/h5-6H,2-3H2,1H3
InChIKeyOGHZKASOHWGPCP-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.78
Rot. Bonds3

About 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile

3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile (PubChem CID 126823873) has the molecular formula C11H9F3N4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile
PubChem CID126823873
Molecular FormulaC11H9F3N4S
Molecular Weight286.28 g/mol
Exact Mass286.05
IUPAC Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile
SMILESCc1ncsc1CCn1cnc(C(F)(F)F)c1C#N
InChIInChI=1S/C11H9F3N4S/c1-7-9(19-6-17-7)2-3-18-5-16-10(8(18)4-15)11(12,13)14/h5-6H,2-3H2,1H3
InChIKeyOGHZKASOHWGPCP-UHFFFAOYSA-N
XLogP2.78
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one
CID 114583715
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
CID 66818170
CID 66818170
2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone
CID 62582335
3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one
CID 114561487
2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
CID 65379325
3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 81282980
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113251758
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid
CID 62071343

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile (CID 126823873) is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile is Cc1ncsc1CCn1cnc(C(F)(F)F)c1C#N.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile?
The InChIKey is OGHZKASOHWGPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4S/c1-7-9(19-6-17-7)2-3-18-5-16-10(8(18)4-15)11(12,13)14/h5-6H,2-3H2,1H3.
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile?
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile has a molecular weight of 286.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile is sourced from PubChem (CID 126823873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).