5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

C7H10F3N3O2S3 — CID 48915077

IUPAC5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)CCSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3O2S3/c1-18(14,15)3-2-16-6-13-12-5(17-6)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyXXXDVGRPXNFGNE-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.65
Rot. Bonds6

About 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 48915077) has the molecular formula C7H10F3N3O2S3 and a molecular weight of 321.37 g/mol. Its IUPAC name is 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID48915077
Molecular FormulaC7H10F3N3O2S3
Molecular Weight321.37 g/mol
Exact Mass320.99
IUPAC Name5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)CCSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3O2S3/c1-18(14,15)3-2-16-6-13-12-5(17-6)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyXXXDVGRPXNFGNE-UHFFFAOYSA-N
XLogP1.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(Ethylsulphonyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 11970600
5-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48914971
5-propylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 52475744
5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60605231
N-ethyl-5-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 71853802
N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 96540543
N-ethyl-5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 96540545
N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105779755
N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
CID 106337878
N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
CID 106338317
N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
CID 106339251
N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586969

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (CID 48915077) is 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is CS(=O)(=O)CCSc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XXXDVGRPXNFGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S3/c1-18(14,15)3-2-16-6-13-12-5(17-6)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12).
What are the key properties of 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 321.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 48915077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).