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

C22H23N5O2S — CID 50816367

IUPAC5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1
InChIInChI=1S/C22H23N5O2S/c1-15-6-5-9-18(14-15)24-22(29)27-12-10-16(11-13-27)20-25-26-21(30-20)19(28)23-17-7-3-2-4-8-17/h2-9,14,16H,10-13H2,1H3,(H,23,28)(H,24,29)
InChIKeyKYZNGOFBPHLQNA-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.51
Rot. Bonds4

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

5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50816367) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID50816367
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1
InChIInChI=1S/C22H23N5O2S/c1-15-6-5-9-18(14-15)24-22(29)27-12-10-16(11-13-27)20-25-26-21(30-20)19(28)23-17-7-3-2-4-8-17/h2-9,14,16H,10-13H2,1H3,(H,23,28)(H,24,29)
InChIKeyKYZNGOFBPHLQNA-UHFFFAOYSA-N
XLogP4.51
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-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-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376550
N-(4-methylphenyl)-5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376500
5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376537
5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722
N-(4-fluorophenyl)-5-[(3S)-1-[(3-methylphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879261
N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879518
N-(3-chlorophenyl)-5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 20971216
5-[1-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816534
5-[(3R)-1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879754
5-[1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46375998
5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-4-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971202
5-[1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816533

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 50816367) is 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is Cc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1.
What is the InChIKey of 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KYZNGOFBPHLQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-6-5-9-18(14-15)24-22(29)27-12-10-16(11-13-27)20-25-26-21(30-20)19(28)23-17-7-3-2-4-8-17/h2-9,14,16H,10-13H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50816367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).