N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C11H8Cl2F3N3S — CID 107304676

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H8Cl2F3N3S/c12-7-2-1-6(8(13)5-7)3-4-17-10-18-9(19-20-10)11(14,15)16/h1-2,5H,3-4H2,(H,17,18,19)
InChIKeyFHLYUEKTPWBUEZ-UHFFFAOYSA-N
MW342.17 g/mol
LogP4.52
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304676) has the molecular formula C11H8Cl2F3N3S and a molecular weight of 342.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304676
Molecular FormulaC11H8Cl2F3N3S
Molecular Weight342.17 g/mol
Exact Mass340.98
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H8Cl2F3N3S/c12-7-2-1-6(8(13)5-7)3-4-17-10-18-9(19-20-10)11(14,15)16/h1-2,5H,3-4H2,(H,17,18,19)
InChIKeyFHLYUEKTPWBUEZ-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-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-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63536432
N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304955
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625293
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785018
N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 43213712
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075
2-[2-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-5-carboxylic acid
CID 80571729
5-[2-(2,4-dichlorophenyl)ethylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375694
N-(4-chloropentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106124620
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
5-[2-(2,4-dichlorophenyl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402437

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304676) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FHLYUEKTPWBUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3S/c12-7-2-1-6(8(13)5-7)3-4-17-10-18-9(19-20-10)11(14,15)16/h1-2,5H,3-4H2,(H,17,18,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 342.17 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).