4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide

C19H18FN5OS — CID 15979251

IUPAC4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-8-6-14(7-9-15)17-22-19(27-23-17)25-12-10-24(11-13-25)18(26)21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,21,26)
InChIKeyUYISXRRDVKBHDE-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.70
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide

4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (PubChem CID 15979251) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
PubChem CID15979251
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-8-6-14(7-9-15)17-22-19(27-23-17)25-12-10-24(11-13-25)18(26)21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,21,26)
InChIKeyUYISXRRDVKBHDE-UHFFFAOYSA-N
XLogP3.70
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-1661010
CID 2809273
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide
CID 11552354
N-(2-fluorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15979116
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 9931066
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-m-tolylpiperazine-1-carboxamide
CID 15978868
N-(3-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978871
N-(2-(methylthio)phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978874
N-phenyl-4-(3-p-tolyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978997
4-(3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15978999
N-(4-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15979117
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-4-yl)piperazine-1-carboxamide
CID 15979249
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 15979250

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (CID 15979251) is 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(F)cc3)ns2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is UYISXRRDVKBHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-15-8-6-14(7-9-15)17-22-19(27-23-17)25-12-10-24(11-13-25)18(26)21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,21,26).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 15979251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).