N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

C24H24ClN5O3S — CID 50788329

IUPACN-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1C
InChIInChI=1S/C24H24ClN5O3S/c1-14-8-9-19(11-15(14)2)26-20(31)16-5-4-10-30(13-16)24(33)23-29-28-22(34-23)21(32)27-18-7-3-6-17(25)12-18/h3,6-9,11-12,16H,4-5,10,13H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyYEUFNOLMQSOIHZ-UHFFFAOYSA-N
MW498.01 g/mol
LogP4.55
Rot. Bonds5

About N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50788329) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID50788329
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC NameN-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1C
InChIInChI=1S/C24H24ClN5O3S/c1-14-8-9-19(11-15(14)2)26-20(31)16-5-4-10-30(13-16)24(33)23-29-28-22(34-23)21(32)27-18-7-3-6-17(25)12-18/h3,6-9,11-12,16H,4-5,10,13H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyYEUFNOLMQSOIHZ-UHFFFAOYSA-N
XLogP4.55
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890586
N-(4-chlorophenyl)-5-[(3R)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890813
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330648
N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330862
N-(1,3-benzodioxol-5-yl)-5-[(3S)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890886
5-[(3R)-3-(butylcarbamoyl)piperidine-1-carbonyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890851
N-(4-chlorophenyl)-5-[3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788250
N-(3-chlorophenyl)-5-[1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46375967
N-(3-chlorophenyl)-5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088629
N-(1,3-benzodioxol-5-yl)-5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330684
5-[(3R)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890519

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 50788329) is N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1C.
What is the InChIKey of N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YEUFNOLMQSOIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-14-8-9-19(11-15(14)2)26-20(31)16-5-4-10-30(13-16)24(33)23-29-28-22(34-23)21(32)27-18-7-3-6-17(25)12-18/h3,6-9,11-12,16H,4-5,10,13H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 498.01 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50788329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).