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

C23H25N5O2S — CID 46376537

IUPAC5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1C
InChIInChI=1S/C23H25N5O2S/c1-15-7-6-10-19(16(15)2)25-23(30)28-13-11-17(12-14-28)21-26-27-22(31-21)20(29)24-18-8-4-3-5-9-18/h3-10,17H,11-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyUXTHCNBAEPHQFL-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.82
Rot. Bonds4

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

5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46376537) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46376537
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1C
InChIInChI=1S/C23H25N5O2S/c1-15-7-6-10-19(16(15)2)25-23(30)28-13-11-17(12-14-28)21-26-27-22(31-21)20(29)24-18-8-4-3-5-9-18/h3-10,17H,11-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyUXTHCNBAEPHQFL-UHFFFAOYSA-N
XLogP4.82
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 20971216
5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816367
5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376550
N-(2-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879452
5-[1-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816534
5-[1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816533
5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376428
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816471
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-[(3S)-1-[(2-bromophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879743
5-[(3R)-1-[(2-ethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879750

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 46376537) is 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is Cc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1C.
What is the InChIKey of 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UXTHCNBAEPHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15-7-6-10-19(16(15)2)25-23(30)28-13-11-17(12-14-28)21-26-27-22(31-21)20(29)24-18-8-4-3-5-9-18/h3-10,17H,11-14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46376537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).