N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide

C19H24ClN5O3S — CID 50777415

IUPACN-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN1CCN(C(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1
InChIInChI=1S/C19H24ClN5O3S/c1-2-6-24-7-9-25(10-8-24)17(26)13-28-12-16-22-23-19(29-16)18(27)21-15-5-3-4-14(20)11-15/h3-5,11H,2,6-10,12-13H2,1H3,(H,21,27)
InChIKeyWSBNRQZXUYVWOG-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.51
Rot. Bonds8

About N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide

N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50777415) has the molecular formula C19H24ClN5O3S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID50777415
Molecular FormulaC19H24ClN5O3S
Molecular Weight437.95 g/mol
Exact Mass437.13
IUPAC NameN-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN1CCN(C(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1
InChIInChI=1S/C19H24ClN5O3S/c1-2-6-24-7-9-25(10-8-24)17(26)13-28-12-16-22-23-19(29-16)18(27)21-15-5-3-4-14(20)11-15/h3-5,11H,2,6-10,12-13H2,1H3,(H,21,27)
InChIKeyWSBNRQZXUYVWOG-UHFFFAOYSA-N
XLogP2.51
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-(butylamino)-2-oxoethoxy]methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319884
N-(3-chlorophenyl)-5-[[2-oxo-2-(propan-2-ylamino)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46319863
N-(3-fluorophenyl)-5-[(2-morpholin-4-yl-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320034
N-(3-fluorophenyl)-5-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 50777405
N-(3-chlorophenyl)-5-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354717
N-(3-chlorophenyl)-5-[4-oxo-4-(2-pyrrolidin-1-ylethylamino)butyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320261
N-(3-chlorophenyl)-5-[(pentanoylamino)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099864
N-(3-chlorophenyl)-5-(4-morpholin-4-yl-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
CID 46320237
N-(3-chlorophenyl)-5-[[2-[(2-fluorophenyl)methylamino]-2-oxoethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46319897
N-(3-fluorophenyl)-5-[[2-oxo-2-(2-piperidin-1-ylethylamino)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320035
N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332406
5-[3-oxo-3-[3-(4-propylpiperazin-1-yl)propylamino]propyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46354535

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 50777415) is N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide is CCCN1CCN(C(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WSBNRQZXUYVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O3S/c1-2-6-24-7-9-25(10-8-24)17(26)13-28-12-16-22-23-19(29-16)18(27)21-15-5-3-4-14(20)11-15/h3-5,11H,2,6-10,12-13H2,1H3,(H,21,27).
What are the key properties of N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide?
N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 437.95 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50777415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).