4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole

C14H6F3NS4 — CID 153405820

IUPAC4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole
SMILESFC(F)(F)c1nc2c(-c3cccs3)sc(-c3cccs3)c2s1
InChIInChI=1S/C14H6F3NS4/c15-14(16,17)13-18-9-10(7-3-1-5-19-7)21-11(12(9)22-13)8-4-2-6-20-8/h1-6H
InChIKeyASVVEBONHAAEEF-UHFFFAOYSA-N
MW373.47 g/mol
LogP6.83
Rot. Bonds2

About 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole

4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole (PubChem CID 153405820) has the molecular formula C14H6F3NS4 and a molecular weight of 373.47 g/mol. Its IUPAC name is 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole
PubChem CID153405820
Molecular FormulaC14H6F3NS4
Molecular Weight373.47 g/mol
Exact Mass372.93
IUPAC Name4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole
SMILESFC(F)(F)c1nc2c(-c3cccs3)sc(-c3cccs3)c2s1
InChIInChI=1S/C14H6F3NS4/c15-14(16,17)13-18-9-10(7-3-1-5-19-7)21-11(12(9)22-13)8-4-2-6-20-8/h1-6H
InChIKeyASVVEBONHAAEEF-UHFFFAOYSA-N
XLogP6.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.47
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole
CID 151241023
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
CID 130318353
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 102108621
2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
4,6-dithiophen-2-yl-1H-thieno[3,4-d]triazole
CID 100936204
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276873
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole
CID 101225417
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216

Frequently Asked Questions

What is the IUPAC name of 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole?
The IUPAC name of 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole (CID 153405820) is 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole.
What is the SMILES notation for 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole?
The canonical SMILES for 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole is FC(F)(F)c1nc2c(-c3cccs3)sc(-c3cccs3)c2s1.
What is the InChIKey of 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole?
The InChIKey is ASVVEBONHAAEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F3NS4/c15-14(16,17)13-18-9-10(7-3-1-5-19-7)21-11(12(9)22-13)8-4-2-6-20-8/h1-6H.
What are the key properties of 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole?
4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole has a molecular weight of 373.47 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole is sourced from PubChem (CID 153405820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).