N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide

C24H36FN5OS — CID 4202557

IUPACN-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)C1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C24H36FN5OS/c1-4-29(5-2)14-6-7-18(3)26-23(31)20-12-15-30(16-13-20)24-27-22(28-32-24)17-19-8-10-21(25)11-9-19/h8-11,18,20H,4-7,12-17H2,1-3H3,(H,26,31)
InChIKeyPORYDPGTBHZGJK-UHFFFAOYSA-N
MW461.65 g/mol
LogP4.11
Rot. Bonds11

About N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide

N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 4202557) has the molecular formula C24H36FN5OS and a molecular weight of 461.65 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
PubChem CID4202557
Molecular FormulaC24H36FN5OS
Molecular Weight461.65 g/mol
Exact Mass461.26
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)C1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C24H36FN5OS/c1-4-29(5-2)14-6-7-18(3)26-23(31)20-12-15-30(16-13-20)24-27-22(28-32-24)17-19-8-10-21(25)11-9-19/h8-11,18,20H,4-7,12-17H2,1-3H3,(H,26,31)
InChIKeyPORYDPGTBHZGJK-UHFFFAOYSA-N
XLogP4.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide (CID 4202557) is N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide is CCN(CC)CCCC(C)NC(=O)C1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is PORYDPGTBHZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN5OS/c1-4-29(5-2)14-6-7-18(3)26-23(31)20-12-15-30(16-13-20)24-27-22(28-32-24)17-19-8-10-21(25)11-9-19/h8-11,18,20H,4-7,12-17H2,1-3H3,(H,26,31).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 461.65 g/mol, XLogP of 4.11, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 4202557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).