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

C20H20FN5OS — CID 54582257

IUPACN-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1)c1ccccc1F
InChIInChI=1S/C20H20FN5OS/c1-24(17-10-6-5-9-16(17)21)20(27)26-13-11-25(12-14-26)19-22-18(23-28-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyMQYPLUKKUACUGN-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.72
Rot. Bonds3

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

N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 54582257) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID54582257
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC NameN-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1)c1ccccc1F
InChIInChI=1S/C20H20FN5OS/c1-24(17-10-6-5-9-16(17)21)20(27)26-13-11-25(12-14-26)19-22-18(23-28-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyMQYPLUKKUACUGN-UHFFFAOYSA-N
XLogP3.72
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 54582257) is N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is CN(C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is MQYPLUKKUACUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c1-24(17-10-6-5-9-16(17)21)20(27)26-13-11-25(12-14-26)19-22-18(23-28-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 54582257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).