N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

C21H24ClN5O3S — CID 46330862

IUPACN-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C21H24ClN5O3S/c22-15-4-3-5-16(13-15)23-18(29)19-24-25-20(31-19)21(30)27-10-6-14(7-11-27)12-17(28)26-8-1-2-9-26/h3-5,13-14H,1-2,6-12H2,(H,23,29)
InChIKeyHNCPHNAJYXJTPC-UHFFFAOYSA-N
MW461.98 g/mol
LogP3.31
Rot. Bonds5

About N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330862) has the molecular formula C21H24ClN5O3S and a molecular weight of 461.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46330862
Molecular FormulaC21H24ClN5O3S
Molecular Weight461.98 g/mol
Exact Mass461.13
IUPAC NameN-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C21H24ClN5O3S/c22-15-4-3-5-16(13-15)23-18(29)19-24-25-20(31-19)21(30)27-10-6-14(7-11-27)12-17(28)26-8-1-2-9-26/h3-5,13-14H,1-2,6-12H2,(H,23,29)
InChIKeyHNCPHNAJYXJTPC-UHFFFAOYSA-N
XLogP3.31
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.98
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330856
N-(3-chlorophenyl)-5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816521
N-(4-methylphenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330816
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-[4-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330891
5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330995
N-(3-chlorophenyl)-5-[4-(oxolan-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330625
N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788329
5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330648
N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890586
N-(1,3-benzodioxol-5-yl)-5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330684

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 46330862) is N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)s1.
What is the InChIKey of N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HNCPHNAJYXJTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3S/c22-15-4-3-5-16(13-15)23-18(29)19-24-25-20(31-19)21(30)27-10-6-14(7-11-27)12-17(28)26-8-1-2-9-26/h3-5,13-14H,1-2,6-12H2,(H,23,29).
What are the key properties of N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 461.98 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).