N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C41H38F6N10O2S2 — CID 87485196

IUPACN-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.O=C(Nc1ccccc1F)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C21H19F4N5OS.C20H19F2N5OS/c22-15-7-5-14(6-8-15)13-18-27-20(32-28-18)30-11-9-29(10-12-30)19(31)26-17-4-2-1-3-16(17)21(23,24)25;21-15-7-5-14(6-8-15)13-18-24-20(29-25-18)27-11-9-26(10-12-27)19(28)23-17-4-2-1-3-16(17)22/h1-8H,9-13H2,(H,26,31);1-8H,9-13H2,(H,23,28)
InChIKeyNTCIRCJZNHTNJL-UHFFFAOYSA-N
MW880.94 g/mol
LogP8.40
Rot. Bonds8

About N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 87485196) has the molecular formula C41H38F6N10O2S2 and a molecular weight of 880.94 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID87485196
Molecular FormulaC41H38F6N10O2S2
Molecular Weight880.94 g/mol
Exact Mass880.25
IUPAC NameN-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.O=C(Nc1ccccc1F)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C21H19F4N5OS.C20H19F2N5OS/c22-15-7-5-14(6-8-15)13-18-27-20(32-28-18)30-11-9-29(10-12-30)19(31)26-17-4-2-1-3-16(17)21(23,24)25;21-15-7-5-14(6-8-15)13-18-24-20(29-25-18)27-11-9-26(10-12-27)19(28)23-17-4-2-1-3-16(17)22/h1-8H,9-13H2,(H,26,31);1-8H,9-13H2,(H,23,28)
InChIKeyNTCIRCJZNHTNJL-UHFFFAOYSA-N
XLogP8.40
TPSA122.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.94
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-(2-bromophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide
CID 3606402
4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 3588808
1-[2-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3581897
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 15979119
4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3979772
1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylethanone
CID 3456816
N-(2-fluorophenyl)-2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 4662018
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 4306570
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-ethylpiperazine-1-carboxamide
CID 4242322
[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3928427
1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 5128326
1-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
CID 3921559

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 87485196) is N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.O=C(Nc1ccccc1F)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is NTCIRCJZNHTNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5OS.C20H19F2N5OS/c22-15-7-5-14(6-8-15)13-18-27-20(32-28-18)30-11-9-29(10-12-30)19(31)26-17-4-2-1-3-16(17)21(23,24)25;21-15-7-5-14(6-8-15)13-18-24-20(29-25-18)27-11-9-26(10-12-27)19(28)23-17-4-2-1-3-16(17)22/h1-8H,9-13H2,(H,26,31);1-8H,9-13H2,(H,23,28).
What are the key properties of N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 880.94 g/mol, XLogP of 8.40, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide;4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 87485196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).