N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine

C22H17F2N3S — CID 11246365

IUPACN-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(Nc2ccc(F)cc2)s1
InChIInChI=1S/C22H17F2N3S/c1-14(16-7-12-19(20(24)13-16)15-5-3-2-4-6-15)21-26-27-22(28-21)25-18-10-8-17(23)9-11-18/h2-14H,1H3,(H,25,27)
InChIKeyNDLARSCUOUVUHM-UHFFFAOYSA-N
MW393.46 g/mol
LogP6.38
Rot. Bonds5

About N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine

N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 11246365) has the molecular formula C22H17F2N3S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID11246365
Molecular FormulaC22H17F2N3S
Molecular Weight393.46 g/mol
Exact Mass393.11
IUPAC NameN-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(Nc2ccc(F)cc2)s1
InChIInChI=1S/C22H17F2N3S/c1-14(16-7-12-19(20(24)13-16)15-5-3-2-4-6-15)21-26-27-22(28-21)25-18-10-8-17(23)9-11-18/h2-14H,1H3,(H,25,27)
InChIKeyNDLARSCUOUVUHM-UHFFFAOYSA-N
XLogP6.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methylguanidine
CID 142039316
6-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850654
5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole
CID 142039308
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
4-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4680904
4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 19785553
4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole
CID 141072768
(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 985824
1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine
CID 18693704
methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate
CID 164669444
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995
(4-chlorophenyl)-[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 71447821

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 11246365) is N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine is CC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(Nc2ccc(F)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NDLARSCUOUVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3S/c1-14(16-7-12-19(20(24)13-16)15-5-3-2-4-6-15)21-26-27-22(28-21)25-18-10-8-17(23)9-11-18/h2-14H,1H3,(H,25,27).
What are the key properties of N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 393.46 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 11246365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).