N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

C18H19FN6O3S2 — CID 92503637

IUPACN-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1
InChIInChI=1S/C18H19FN6O3S2/c1-24-10-15(20-11-24)30(27,28)25-8-2-3-12(9-25)17-22-23-18(29-17)16(26)21-14-6-4-13(19)5-7-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,26)/t12-/m1/s1
InChIKeyRUZIBOZCORTPHS-GFCCVEGCSA-N
MW450.52 g/mol
LogP2.23
Rot. Bonds5

About N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92503637) has the molecular formula C18H19FN6O3S2 and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID92503637
Molecular FormulaC18H19FN6O3S2
Molecular Weight450.52 g/mol
Exact Mass450.09
IUPAC NameN-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1
InChIInChI=1S/C18H19FN6O3S2/c1-24-10-15(20-11-24)30(27,28)25-8-2-3-12(9-25)17-22-23-18(29-17)16(26)21-14-6-4-13(19)5-7-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,26)/t12-/m1/s1
InChIKeyRUZIBOZCORTPHS-GFCCVEGCSA-N
XLogP2.23
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088709
N-(4-fluorophenyl)-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816624
N-(4-fluorophenyl)-5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088715
5-[(3R)-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088752
5-[(3R)-1-(3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088761
N-(4-fluorophenyl)-5-[(3R)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088723
5-[(3S)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088756
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816674
N-(4-fluorophenyl)-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088726
N-(4-fluorophenyl)-5-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088739
N-(4-fluorophenyl)-5-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088727
5-[(3S)-1-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879761

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 92503637) is N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1.
What is the InChIKey of N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RUZIBOZCORTPHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN6O3S2/c1-24-10-15(20-11-24)30(27,28)25-8-2-3-12(9-25)17-22-23-18(29-17)16(26)21-14-6-4-13(19)5-7-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,26)/t12-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92503637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).