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

C22H23N5O2S — CID 92879518

IUPACN-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cc1
InChIInChI=1S/C22H23N5O2S/c1-15-9-11-18(12-10-15)23-19(28)21-26-25-20(30-21)16-6-5-13-27(14-16)22(29)24-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,23,28)(H,24,29)/t16-/m1/s1
InChIKeyYSHDTLLHZYBCBM-MRXNPFEDSA-N
MW421.53 g/mol
LogP4.51
Rot. Bonds4

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

N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92879518) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID92879518
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cc1
InChIInChI=1S/C22H23N5O2S/c1-15-9-11-18(12-10-15)23-19(28)21-26-25-20(30-21)16-6-5-13-27(14-16)22(29)24-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,23,28)(H,24,29)/t16-/m1/s1
InChIKeyYSHDTLLHZYBCBM-MRXNPFEDSA-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

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Related Compounds

5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722
5-[(3S)-1-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879761
5-[(3R)-1-[(4-methylphenyl)methylcarbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879774
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
N-(2-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879452
N-(4-methylphenyl)-5-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46375930
5-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376000
N-(4-fluorophenyl)-5-[(3S)-1-[(3-methylphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879261
5-[(3S)-1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879537
5-[(3S)-1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879531
5-[(3S)-1-(cyclohexylcarbamoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879607

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 92879518) is N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YSHDTLLHZYBCBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-9-11-18(12-10-15)23-19(28)21-26-25-20(30-21)16-6-5-13-27(14-16)22(29)24-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,23,28)(H,24,29)/t16-/m1/s1.
What are the key properties of N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-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 N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92879518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).