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

C20H24ClN5O3S — CID 46331033

IUPACN-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C20H24ClN5O3S/c1-2-9-22-16(27)12-13-7-10-26(11-8-13)20(29)19-25-24-18(30-19)17(28)23-15-5-3-14(21)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyFPFLQHRXLZCWTM-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.21
Rot. Bonds7

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

N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46331033) has the molecular formula C20H24ClN5O3S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46331033
Molecular FormulaC20H24ClN5O3S
Molecular Weight449.96 g/mol
Exact Mass449.13
IUPAC NameN-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C20H24ClN5O3S/c1-2-9-22-16(27)12-13-7-10-26(11-8-13)20(29)19-25-24-18(30-19)17(28)23-15-5-3-14(21)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyFPFLQHRXLZCWTM-UHFFFAOYSA-N
XLogP3.21
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330947
5-[(3R)-3-(butylcarbamoyl)piperidine-1-carbonyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890851
N-(4-methylphenyl)-5-[4-[2-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871614
N-(4-fluorophenyl)-5-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330796
N-(4-methylphenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330816
5-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330813
N-(3-chlorophenyl)-5-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330856
5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330926
N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330820
5-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330924
N-(4-fluorophenyl)-5-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330783

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 46331033) is N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is CCCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FPFLQHRXLZCWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3S/c1-2-9-22-16(27)12-13-7-10-26(11-8-13)20(29)19-25-24-18(30-19)17(28)23-15-5-3-14(21)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,22,27)(H,23,28).
What are the key properties of N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46331033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).