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

C20H27N5O2S — CID 46375893

IUPACN-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nnc(C2CCCN(C(=O)NCC(C)C)C2)s1
InChIInChI=1S/C20H27N5O2S/c1-13(2)11-21-20(27)25-10-6-8-15(12-25)18-23-24-19(28-18)17(26)22-16-9-5-4-7-14(16)3/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyFFCCVUOTXNUFNV-UHFFFAOYSA-N
MW401.54 g/mol
LogP3.64
Rot. Bonds5

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

N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46375893) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46375893
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nnc(C2CCCN(C(=O)NCC(C)C)C2)s1
InChIInChI=1S/C20H27N5O2S/c1-13(2)11-21-20(27)25-10-6-8-15(12-25)18-23-24-19(28-18)17(26)22-16-9-5-4-7-14(16)3/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyFFCCVUOTXNUFNV-UHFFFAOYSA-N
XLogP3.64
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-1-(methylcarbamoyl)piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879509
N-(2-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879452
5-[(3R)-1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879454
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-[(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
N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879783
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-[(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 N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 46375893) is N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccccc1NC(=O)c1nnc(C2CCCN(C(=O)NCC(C)C)C2)s1.
What is the InChIKey of N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FFCCVUOTXNUFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-13(2)11-21-20(27)25-10-6-8-15(12-25)18-23-24-19(28-18)17(26)22-16-9-5-4-7-14(16)3/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3,(H,21,27)(H,22,26).
What are the key properties of N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46375893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).