N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide

C15H17ClN4O3S2 — CID 50816751

IUPACN-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1
InChIInChI=1S/C15H17ClN4O3S2/c1-25(22,23)20-8-2-3-10(9-20)14-18-19-15(24-14)13(21)17-12-6-4-11(16)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,17,21)
InChIKeyYYLHAWTYXHYFGT-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.58
Rot. Bonds4

About N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide

N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50816751) has the molecular formula C15H17ClN4O3S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID50816751
Molecular FormulaC15H17ClN4O3S2
Molecular Weight400.91 g/mol
Exact Mass400.04
IUPAC NameN-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1
InChIInChI=1S/C15H17ClN4O3S2/c1-25(22,23)20-8-2-3-10(9-20)14-18-19-15(24-14)13(21)17-12-6-4-11(16)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,17,21)
InChIKeyYYLHAWTYXHYFGT-UHFFFAOYSA-N
XLogP2.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088930
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816726
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816674
N-(4-chlorophenyl)-5-[(3R)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088812
N-(4-chlorophenyl)-5-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816576
N-(1,3-benzodioxol-5-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94089191
N-(4-chlorophenyl)-5-[(3R)-1-(propan-2-ylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879426
5-[(3R)-1-butanoylpiperidin-3-yl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088444
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46375863
5-(1-ethylsulfonylpiperidin-3-yl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816671
N-(3-chlorophenyl)-5-(1-ethylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 50816685
N-(3-chlorophenyl)-5-[(3S)-1-ethylsulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94089054

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide (CID 50816751) is N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide is CS(=O)(=O)N1CCCC(c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1.
What is the InChIKey of N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YYLHAWTYXHYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S2/c1-25(22,23)20-8-2-3-10(9-20)14-18-19-15(24-14)13(21)17-12-6-4-11(16)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,17,21).
What are the key properties of N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50816751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).