N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine

C11H10F3N3OS — CID 107648522

IUPACN-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nncs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3OS/c1-7(16-10-17-15-6-19-10)8-2-4-9(5-3-8)18-11(12,13)14/h2-7H,1H3,(H,16,17)
InChIKeyASENBIJVAXISAD-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.61
Rot. Bonds4

About N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648522) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648522
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC NameN-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nncs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3OS/c1-7(16-10-17-15-6-19-10)8-2-4-9(5-3-8)18-11(12,13)14/h2-7H,1H3,(H,16,17)
InChIKeyASENBIJVAXISAD-UHFFFAOYSA-N
XLogP3.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648558
4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol
CID 107648836
2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]-1,3,4-thiadiazole
CID 60585536
6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418515
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
(1S)-N-tert-butylsulfanyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 174916016
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648855
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
N-(1-thiophen-3-ylethyl)-4-(trifluoromethoxy)aniline
CID 55032953
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine (CID 107648522) is N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine is CC(Nc1nncs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ASENBIJVAXISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-7(16-10-17-15-6-19-10)8-2-4-9(5-3-8)18-11(12,13)14/h2-7H,1H3,(H,16,17).
What are the key properties of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine?
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 289.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).