2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide

C22H18Cl2N4O2S — CID 55432986

IUPAC2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H18Cl2N4O2S/c1-2-11-28(12-19-26-27-20(30-19)16-5-3-4-6-17(16)24)22(29)18-13-31-21(25-18)14-7-9-15(23)10-8-14/h3-10,13H,2,11-12H2,1H3
InChIKeyKXUXDBSOXHHWIN-UHFFFAOYSA-N
MW473.39 g/mol
LogP6.22
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 55432986) has the molecular formula C22H18Cl2N4O2S and a molecular weight of 473.39 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID55432986
Molecular FormulaC22H18Cl2N4O2S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC Name2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H18Cl2N4O2S/c1-2-11-28(12-19-26-27-20(30-19)16-5-3-4-6-17(16)24)22(29)18-13-31-21(25-18)14-7-9-15(23)10-8-14/h3-10,13H,2,11-12H2,1H3
InChIKeyKXUXDBSOXHHWIN-UHFFFAOYSA-N
XLogP6.22
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.39
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 134021234
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
2-[(4-chlorophenyl)methylsulfanyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361355
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide
CID 55361317
5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propylbenzamide
CID 55361219
2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119204842
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(phenoxymethyl)-N-propylbenzamide
CID 24684596
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 78788628
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
CID 55361063
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
CID 55361158

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 55432986) is 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is KXUXDBSOXHHWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2S/c1-2-11-28(12-19-26-27-20(30-19)16-5-3-4-6-17(16)24)22(29)18-13-31-21(25-18)14-7-9-15(23)10-8-14/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 473.39 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55432986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).