2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole

C22H14Cl2N4OS2 — CID 139229613

IUPAC2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1-c1nnc(Cc2csc(-c3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C22H14Cl2N4OS2/c1-12-19(31-22(25-12)14-4-8-16(24)9-5-14)20-28-27-18(29-20)10-17-11-30-21(26-17)13-2-6-15(23)7-3-13/h2-9,11H,10H2,1H3
InChIKeyXQJMZKPDNZEORX-UHFFFAOYSA-N
MW485.42 g/mol
LogP7.19
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole

2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole (PubChem CID 139229613) has the molecular formula C22H14Cl2N4OS2 and a molecular weight of 485.42 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
PubChem CID139229613
Molecular FormulaC22H14Cl2N4OS2
Molecular Weight485.42 g/mol
Exact Mass484.00
IUPAC Name2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1-c1nnc(Cc2csc(-c3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C22H14Cl2N4OS2/c1-12-19(31-22(25-12)14-4-8-16(24)9-5-14)20-28-27-18(29-20)10-17-11-30-21(26-17)13-2-6-15(23)7-3-13/h2-9,11H,10H2,1H3
InChIKeyXQJMZKPDNZEORX-UHFFFAOYSA-N
XLogP7.19
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole (CID 139229613) is 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole is Cc1nc(-c2ccc(Cl)cc2)sc1-c1nnc(Cc2csc(-c3ccc(Cl)cc3)n2)o1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is XQJMZKPDNZEORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N4OS2/c1-12-19(31-22(25-12)14-4-8-16(24)9-5-14)20-28-27-18(29-20)10-17-11-30-21(26-17)13-2-6-15(23)7-3-13/h2-9,11H,10H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole?
2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 485.42 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139229613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).