5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

C23H24FN5O4S — CID 50818647

IUPAC5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c(OC)c1
InChIInChI=1S/C23H24FN5O4S/c1-32-15-7-8-18(19(13-15)33-2)26-23(31)29-11-9-14(10-12-29)21-27-28-22(34-21)20(30)25-17-6-4-3-5-16(17)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,26,31)
InChIKeySOSMLOKSCMZBPF-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.36
Rot. Bonds6

About 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50818647) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID50818647
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c(OC)c1
InChIInChI=1S/C23H24FN5O4S/c1-32-15-7-8-18(19(13-15)33-2)26-23(31)29-11-9-14(10-12-29)21-27-28-22(34-21)20(30)25-17-6-4-3-5-16(17)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,26,31)
InChIKeySOSMLOKSCMZBPF-UHFFFAOYSA-N
XLogP4.36
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971191
5-[1-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816534
5-[1-[(2,4-difluorophenyl)carbamoyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816329
N-(2-fluorophenyl)-5-[1-(propylcarbamoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818947
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816471
5-[1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816533
5-[1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376472
N-(4-fluorophenyl)-5-[(3R)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879214
N-(3,4-difluorophenyl)-5-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072607
N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92895164
5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-4-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971202
5-[1-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375769

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 50818647) is 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide is COc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c(OC)c1.
What is the InChIKey of 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SOSMLOKSCMZBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c1-32-15-7-8-18(19(13-15)33-2)26-23(31)29-11-9-14(10-12-29)21-27-28-22(34-21)20(30)25-17-6-4-3-5-16(17)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50818647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).