5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine

C21H22F2N4OS — CID 133465938

IUPAC5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Cc2nnc(NCC(c3ccc(F)cc3)N3CCOCC3)s2)cc1
InChIInChI=1S/C21H22F2N4OS/c22-17-5-1-15(2-6-17)13-20-25-26-21(29-20)24-14-19(27-9-11-28-12-10-27)16-3-7-18(23)8-4-16/h1-8,19H,9-14H2,(H,24,26)
InChIKeyZAYCZNTVZGRGGF-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.89
Rot. Bonds7

About 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine

5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133465938) has the molecular formula C21H22F2N4OS and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
PubChem CID133465938
Molecular FormulaC21H22F2N4OS
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Cc2nnc(NCC(c3ccc(F)cc3)N3CCOCC3)s2)cc1
InChIInChI=1S/C21H22F2N4OS/c22-17-5-1-15(2-6-17)13-20-25-26-21(29-20)24-14-19(27-9-11-28-12-10-27)16-3-7-18(23)8-4-16/h1-8,19H,9-14H2,(H,24,26)
InChIKeyZAYCZNTVZGRGGF-UHFFFAOYSA-N
XLogP3.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
4-[(1R)-1-(4-fluorophenyl)-2-morpholin-4-ylethyl]morpholine
CID 95988041
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
2-(2-aminoethyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120639799
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178386
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine (CID 133465938) is 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine is Fc1ccc(Cc2nnc(NCC(c3ccc(F)cc3)N3CCOCC3)s2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZAYCZNTVZGRGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4OS/c22-17-5-1-15(2-6-17)13-20-25-26-21(29-20)24-14-19(27-9-11-28-12-10-27)16-3-7-18(23)8-4-16/h1-8,19H,9-14H2,(H,24,26).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 416.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133465938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).