N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

C19H16F2N4O3S — CID 46376462

IUPACN-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnc(C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C19H16F2N4O3S/c20-12-3-4-14(13(21)10-12)22-16(26)18-24-23-17(29-18)11-5-7-25(8-6-11)19(27)15-2-1-9-28-15/h1-4,9-11H,5-8H2,(H,22,26)
InChIKeyVFBAEBTZCNIODA-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.68
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46376462) has the molecular formula C19H16F2N4O3S and a molecular weight of 418.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46376462
Molecular FormulaC19H16F2N4O3S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC NameN-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnc(C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C19H16F2N4O3S/c20-12-3-4-14(13(21)10-12)22-16(26)18-24-23-17(29-18)11-5-7-25(8-6-11)19(27)15-2-1-9-28-15/h1-4,9-11H,5-8H2,(H,22,26)
InChIKeyVFBAEBTZCNIODA-UHFFFAOYSA-N
XLogP3.68
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(furan-2-carbonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376420
5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818682
N-(4-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50817034
N-(2,4-difluorophenyl)-5-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818892
5-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816398
N-(2,4-difluorophenyl)-5-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818872
5-[1-[(2,4-difluorophenyl)carbamoyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816329
N-(4-chlorophenyl)-5-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50817085
N-(4-chlorophenyl)-5-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088399
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376400
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971150
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 3688257

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide (CID 46376462) is N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1nnc(C2CCN(C(=O)c3ccco3)CC2)s1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VFBAEBTZCNIODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3S/c20-12-3-4-14(13(21)10-12)22-16(26)18-24-23-17(29-18)11-5-7-25(8-6-11)19(27)15-2-1-9-28-15/h1-4,9-11H,5-8H2,(H,22,26).
What are the key properties of N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46376462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).