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

C23H24ClN5O2S — CID 92879466

IUPAC5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c(Cl)c1
InChIInChI=1S/C23H24ClN5O2S/c1-14-9-10-19(17(24)12-14)26-23(31)29-11-5-7-16(13-29)21-27-28-22(32-21)20(30)25-18-8-4-3-6-15(18)2/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3,(H,25,30)(H,26,31)/t16-/m1/s1
InChIKeyUNNUPOLTVOVDKO-MRXNPFEDSA-N
MW470.00 g/mol
LogP5.47
Rot. Bonds4

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

5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92879466) has the molecular formula C23H24ClN5O2S and a molecular weight of 470.00 g/mol. Its IUPAC name is 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID92879466
Molecular FormulaC23H24ClN5O2S
Molecular Weight470.00 g/mol
Exact Mass469.13
IUPAC Name5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c(Cl)c1
InChIInChI=1S/C23H24ClN5O2S/c1-14-9-10-19(17(24)12-14)26-23(31)29-11-5-7-16(13-29)21-27-28-22(32-21)20(30)25-18-8-4-3-6-15(18)2/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3,(H,25,30)(H,26,31)/t16-/m1/s1
InChIKeyUNNUPOLTVOVDKO-MRXNPFEDSA-N
XLogP5.47
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.00
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376000
5-[(3R)-1-[(5-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879474
5-[(3R)-1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879754
N-(2-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879452
5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879509
5-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375879
5-[1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46375998
N-(3-chlorophenyl)-5-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46375975
N-(3-chlorophenyl)-5-[1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46375967
5-[(3S)-1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879531
5-[(3R)-1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879468
5-[(3R)-1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879454

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 92879466) is 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c(Cl)c1.
What is the InChIKey of 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UNNUPOLTVOVDKO-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24ClN5O2S/c1-14-9-10-19(17(24)12-14)26-23(31)29-11-5-7-16(13-29)21-27-28-22(32-21)20(30)25-18-8-4-3-6-15(18)2/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3,(H,25,30)(H,26,31)/t16-/m1/s1.
What are the key properties of 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 470.00 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92879466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).