5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C23H24N4O4S — CID 94088683

IUPAC5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1
InChIInChI=1S/C23H24N4O4S/c1-30-18-11-16(12-19(13-18)31-2)23(29)27-10-6-7-15(14-27)21-25-26-22(32-21)20(28)24-17-8-4-3-5-9-17/h3-5,8-9,11-13,15H,6-7,10,14H2,1-2H3,(H,24,28)/t15-/m0/s1
InChIKeyLAOYBJFXNLCGBQ-HNNXBMFYSA-N
MW452.54 g/mol
LogP3.83
Rot. Bonds6

About 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 94088683) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID94088683
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1
InChIInChI=1S/C23H24N4O4S/c1-30-18-11-16(12-19(13-18)31-2)23(29)27-10-6-7-15(14-27)21-25-26-22(32-21)20(28)24-17-8-4-3-5-9-17/h3-5,8-9,11-13,15H,6-7,10,14H2,1-2H3,(H,24,28)/t15-/m0/s1
InChIKeyLAOYBJFXNLCGBQ-HNNXBMFYSA-N
XLogP3.83
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-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-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 94088680
5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088320
N-(3-chlorophenyl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50817173
5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088556
N-(3-chlorophenyl)-5-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088605
5-[1-(2-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50817257
5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 94088695
5-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088506
5-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088505
5-[(3R)-1-benzoylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088378
N-(4-methoxyphenyl)-5-[(3S)-1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879327
5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 94088683) is 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is COc1cc(OC)cc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1.
What is the InChIKey of 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LAOYBJFXNLCGBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-30-18-11-16(12-19(13-18)31-2)23(29)27-10-6-7-15(14-27)21-25-26-22(32-21)20(28)24-17-8-4-3-5-9-17/h3-5,8-9,11-13,15H,6-7,10,14H2,1-2H3,(H,24,28)/t15-/m0/s1.
What are the key properties of 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 94088683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).