N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine

C6H8F3N3S — CID 104633078

IUPACN-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c1-10-3-2-4-11-12-5(13-4)6(7,8)9/h10H,2-3H2,1H3
InChIKeySPPDWGHAJSAOLB-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.32
Rot. Bonds3

About N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine

N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 104633078) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID104633078
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC NameN-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c1-10-3-2-4-11-12-5(13-4)6(7,8)9/h10H,2-3H2,1H3
InChIKeySPPDWGHAJSAOLB-UHFFFAOYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104633095
3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 91831542
2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
CID 118771869
N-methyl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 104633044
2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 158178293
2-methyl-N-[3-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine
CID 104633036
2-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 82818703
2-methyl-3-(methylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119705214
N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 103022781
N-propyl-3-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 113435287
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 71992778
(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide
CID 124756513

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 104633078) is N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine is CNCCc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is SPPDWGHAJSAOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-10-3-2-4-11-12-5(13-4)6(7,8)9/h10H,2-3H2,1H3.
What are the key properties of N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 211.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 104633078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).