5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C23H25N5O3S — CID 46376027

IUPAC5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCCC(c2nnc(C(=O)Nc3ccccc3)s2)C1
InChIInChI=1S/C23H25N5O3S/c1-15-10-11-19(31-2)18(13-15)25-23(30)28-12-6-7-16(14-28)21-26-27-22(32-21)20(29)24-17-8-4-3-5-9-17/h3-5,8-11,13,16H,6-7,12,14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyQUUSDIBVEWYEHU-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.52
Rot. Bonds5

About 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46376027) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46376027
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCCC(c2nnc(C(=O)Nc3ccccc3)s2)C1
InChIInChI=1S/C23H25N5O3S/c1-15-10-11-19(31-2)18(13-15)25-23(30)28-12-6-7-16(14-28)21-26-27-22(32-21)20(29)24-17-8-4-3-5-9-17/h3-5,8-11,13,16H,6-7,12,14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyQUUSDIBVEWYEHU-UHFFFAOYSA-N
XLogP4.52
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46375998
5-[(3R)-1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879754
5-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376000
5-[(3S)-1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879537
5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-4-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971202
N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879518
5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722
N-(4-fluorophenyl)-5-[(3R)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879214
5-[(3S)-1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879531
5-[1-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375769
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 46376027) is 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is COc1ccc(C)cc1NC(=O)N1CCCC(c2nnc(C(=O)Nc3ccccc3)s2)C1.
What is the InChIKey of 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QUUSDIBVEWYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-15-10-11-19(31-2)18(13-15)25-23(30)28-12-6-7-16(14-28)21-26-27-22(32-21)20(29)24-17-8-4-3-5-9-17/h3-5,8-11,13,16H,6-7,12,14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46376027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).