N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

C22H26ClN5O3S — CID 46330856

IUPACN-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)NC1CCCC1
InChIInChI=1S/C22H26ClN5O3S/c23-15-4-3-7-17(13-15)25-19(30)20-26-27-21(32-20)22(31)28-10-8-14(9-11-28)12-18(29)24-16-5-1-2-6-16/h3-4,7,13-14,16H,1-2,5-6,8-12H2,(H,24,29)(H,25,30)
InChIKeyKUYIWAILJPMVDE-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.74
Rot. Bonds6

About N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330856) has the molecular formula C22H26ClN5O3S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46330856
Molecular FormulaC22H26ClN5O3S
Molecular Weight476.00 g/mol
Exact Mass475.14
IUPAC NameN-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)NC1CCCC1
InChIInChI=1S/C22H26ClN5O3S/c23-15-4-3-7-17(13-15)25-19(30)20-26-27-21(32-20)22(31)28-10-8-14(9-11-28)12-18(29)24-16-5-1-2-6-16/h3-4,7,13-14,16H,1-2,5-6,8-12H2,(H,24,29)(H,25,30)
InChIKeyKUYIWAILJPMVDE-UHFFFAOYSA-N
XLogP3.74
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330926
N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330862
N-(3-chlorophenyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330871
N-(3-chlorophenyl)-5-[4-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330891
N-(3-chlorophenyl)-5-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330858
N-(3-chlorophenyl)-5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816521
N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46331033
N-(3-chlorophenyl)-5-[4-(oxolan-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330625
5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330648
N-(4-chlorophenyl)-5-[4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46331057
N-(1,3-benzodioxol-5-yl)-5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330684
N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788329

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 46330856) is N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)NC1CCCC1.
What is the InChIKey of N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KUYIWAILJPMVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3S/c23-15-4-3-7-17(13-15)25-19(30)20-26-27-21(32-20)22(31)28-10-8-14(9-11-28)12-18(29)24-16-5-1-2-6-16/h3-4,7,13-14,16H,1-2,5-6,8-12H2,(H,24,29)(H,25,30).
What are the key properties of N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).