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

C22H16N4OS2 — CID 139229606

IUPAC2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C22H16N4OS2/c1-14-19(29-22(23-14)16-10-6-3-7-11-16)20-26-25-18(27-20)12-17-13-28-21(24-17)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3
InChIKeyZXPMAULUCRRRML-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.88
Rot. Bonds5

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

2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 139229606) has the molecular formula C22H16N4OS2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID139229606
Molecular FormulaC22H16N4OS2
Molecular Weight416.53 g/mol
Exact Mass416.08
IUPAC Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C22H16N4OS2/c1-14-19(29-22(23-14)16-10-6-3-7-11-16)20-26-25-18(27-20)12-17-13-28-21(24-17)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3
InChIKeyZXPMAULUCRRRML-UHFFFAOYSA-N
XLogP5.88
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 71563462
2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
CID 139238037
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
CID 139226873
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 7810373
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole
CID 118871316
2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 141297223
5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 72900565
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (CID 139229606) is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is Cc1nc(-c2ccccc2)sc1-c1nnc(Cc2csc(-c3ccccc3)n2)o1.
What is the InChIKey of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZXPMAULUCRRRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS2/c1-14-19(29-22(23-14)16-10-6-3-7-11-16)20-26-25-18(27-20)12-17-13-28-21(24-17)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3.
What are the key properties of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 416.53 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139229606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).