N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide

C22H24FN5OS — CID 3935869

IUPACN-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide
SMILESO=C(NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1)c1cccc(F)c1
InChIInChI=1S/C22H24FN5OS/c23-19-8-4-7-18(16-19)21(29)24-9-10-27-11-13-28(14-12-27)22-25-20(26-30-22)15-17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,24,29)
InChIKeyZAPSUUFZTNJMBE-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.82
Rot. Bonds7

About N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide

N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide (PubChem CID 3935869) has the molecular formula C22H24FN5OS and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide
PubChem CID3935869
Molecular FormulaC22H24FN5OS
Molecular Weight425.53 g/mol
Exact Mass425.17
IUPAC NameN-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide
SMILESO=C(NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1)c1cccc(F)c1
InChIInChI=1S/C22H24FN5OS/c23-19-8-4-7-18(16-19)21(29)24-9-10-27-11-13-28(14-12-27)22-25-20(26-30-22)15-17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,24,29)
InChIKeyZAPSUUFZTNJMBE-UHFFFAOYSA-N
XLogP2.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide
CID 4030701
N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
CID 3926897
3,5-dichloro-N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide
CID 5005153
4-fluoro-N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide
CID 4301668
N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 3998889
1-(3-fluorophenyl)-3-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]urea
CID 4666325
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide
CID 3888507
1-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-phenylurea
CID 3886230
N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methyl-3-nitrobenzamide
CID 5033788
2-chloro-N-[2-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide
CID 3341589
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide
CID 42775255
N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide
CID 3598265

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide (CID 3935869) is N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide is O=C(NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide?
The InChIKey is ZAPSUUFZTNJMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5OS/c23-19-8-4-7-18(16-19)21(29)24-9-10-27-11-13-28(14-12-27)22-25-20(26-30-22)15-17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,24,29).
What are the key properties of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide?
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide has a molecular weight of 425.53 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 3935869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).