2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole

C5H5F3N2S2 — CID 131207343

IUPAC2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SCC(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S2/c1-3-9-10-4(12-3)11-2-5(6,7)8/h2H2,1H3
InChIKeyODFLAVAJDDUUBJ-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.50
Rot. Bonds2

About 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole

2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 131207343) has the molecular formula C5H5F3N2S2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole
PubChem CID131207343
Molecular FormulaC5H5F3N2S2
Molecular Weight214.24 g/mol
Exact Mass213.98
IUPAC Name2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SCC(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S2/c1-3-9-10-4(12-3)11-2-5(6,7)8/h2H2,1H3
InChIKeyODFLAVAJDDUUBJ-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-5-(methylsulfanyl)-1,3,4-thiadiazole
CID 11029979
1,3,4-Thiadiazole, 2-(methylthio)-5-(trifluoromethyl)-
CID 11030831
2-Fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
CID 10965285
2-(Fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole
CID 11829773
2-(Difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 14555343
2-Propylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 17868361
2-Ethylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 17868362
2-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 19426259
2-Chloro-5-[difluoro(isopropylthio)methyl]-1,3,4-thiadiazole
CID 20148320
2-Propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 21394718
2-Ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 21394719
2-(Difluoromethyl)-5-methyl-1,3,4-thiadiazole
CID 59049205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole (CID 131207343) is 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole is Cc1nnc(SCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is ODFLAVAJDDUUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S2/c1-3-9-10-4(12-3)11-2-5(6,7)8/h2H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole?
2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 214.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 131207343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).