N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide

C25H17FN4OS — CID 16547328

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C25H17FN4OS/c26-18-12-10-17(11-13-18)22-15-20(19-8-4-5-9-21(19)27-22)24(31)28-25-30-29-23(32-25)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,28,30,31)
InChIKeyHPCCRXCCLCLSAA-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.74
Rot. Bonds5

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 16547328) has the molecular formula C25H17FN4OS and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID16547328
Molecular FormulaC25H17FN4OS
Molecular Weight440.50 g/mol
Exact Mass440.11
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C25H17FN4OS/c26-18-12-10-17(11-13-18)22-15-20(19-8-4-5-9-21(19)27-22)24(31)28-25-30-29-23(32-25)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,28,30,31)
InChIKeyHPCCRXCCLCLSAA-UHFFFAOYSA-N
XLogP5.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46328665
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
2-(4-methylphenyl)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 2388075
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 53323751
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55978013

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 16547328) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is HPCCRXCCLCLSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4OS/c26-18-12-10-17(11-13-18)22-15-20(19-8-4-5-9-21(19)27-22)24(31)28-25-30-29-23(32-25)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,28,30,31).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 16547328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).