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

C17H21N5O2S — CID 92879509

IUPAC5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3C)s2)C1
InChIInChI=1S/C17H21N5O2S/c1-11-6-3-4-8-13(11)19-14(23)16-21-20-15(25-16)12-7-5-9-22(10-12)17(24)18-2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,18,24)(H,19,23)/t12-/m0/s1
InChIKeyJBIYGMWDYSKYBT-LBPRGKRZSA-N
MW359.46 g/mol
LogP2.62
Rot. Bonds3

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

5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92879509) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID92879509
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3C)s2)C1
InChIInChI=1S/C17H21N5O2S/c1-11-6-3-4-8-13(11)19-14(23)16-21-20-15(25-16)12-7-5-9-22(10-12)17(24)18-2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,18,24)(H,19,23)/t12-/m0/s1
InChIKeyJBIYGMWDYSKYBT-LBPRGKRZSA-N
XLogP2.62
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-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

N-(2-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879452
N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46375893
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-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879454
5-[(3R)-1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879466
5-[(3R)-1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879468
5-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375879
5-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088880
5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376428
5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816723
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 92879509) is 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is CNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3C)s2)C1.
What is the InChIKey of 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JBIYGMWDYSKYBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11-6-3-4-8-13(11)19-14(23)16-21-20-15(25-16)12-7-5-9-22(10-12)17(24)18-2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,18,24)(H,19,23)/t12-/m0/s1.
What are the key properties of 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92879509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).