ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole

C6H9F3N2S — CID 143140609

IUPACethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC.Cc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S.C2H6/c1-2-8-9-3(10-2)4(5,6)7;1-2/h1H3;1-2H3
InChIKeyYUICBKOCGXIMSS-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.89
Rot. Bonds

About ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole

ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 143140609) has the molecular formula C6H9F3N2S and a molecular weight of 198.21 g/mol. Its IUPAC name is ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID143140609
Molecular FormulaC6H9F3N2S
Molecular Weight198.21 g/mol
Exact Mass198.04
IUPAC Nameethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC.Cc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S.C2H6/c1-2-8-9-3(10-2)4(5,6)7;1-2/h1H3;1-2H3
InChIKeyYUICBKOCGXIMSS-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-1,3,4-thiadiazole
CID 96922
2-Methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole
CID 131207343
2-(Difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 14555343
2-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 19426259
2-Propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20605525
2-(Difluoromethyl)-5-methyl-1,3,4-thiadiazole
CID 59049205
2-[Chloro(difluoro)methyl]-5-methyl-1,3,4-thiadiazole
CID 59049210
2-Tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59734410
2-Ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59964275
Azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 69158828
2-Ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
CID 89030372
2-Methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole
CID 89178708

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 143140609) is ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole is CC.Cc1nnc(C(F)(F)F)s1.
What is the InChIKey of ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is YUICBKOCGXIMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S.C2H6/c1-2-8-9-3(10-2)4(5,6)7;1-2/h1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 198.21 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 143140609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).