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

C5H6F3N3S — CID 65269257

IUPACN-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CC(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3S/c1-9-4-10-3(11-12-4)2-5(6,7)8/h2H2,1H3,(H,9,10,11)
InChIKeyOFXSCHUCCXKPNR-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.68
Rot. Bonds2

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

N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65269257) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65269257
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC NameN-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CC(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3S/c1-9-4-10-3(11-12-4)2-5(6,7)8/h2H2,1H3,(H,9,10,11)
InChIKeyOFXSCHUCCXKPNR-UHFFFAOYSA-N
XLogP1.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (CID 65269257) is N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is CNc1nc(CC(F)(F)F)ns1.
What is the InChIKey of N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OFXSCHUCCXKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-9-4-10-3(11-12-4)2-5(6,7)8/h2H2,1H3,(H,9,10,11).
What are the key properties of N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).