2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C17H11BrN4OS — CID 127050734

IUPAC2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H11BrN4OS/c1-10-14(24-17(20-10)12-3-2-8-19-9-12)16-22-21-15(23-16)11-4-6-13(18)7-5-11/h2-9H,1H3
InChIKeyASYALKMEXOVLCA-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.99
Rot. Bonds3

About 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 127050734) has the molecular formula C17H11BrN4OS and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID127050734
Molecular FormulaC17H11BrN4OS
Molecular Weight399.27 g/mol
Exact Mass397.98
IUPAC Name2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H11BrN4OS/c1-10-14(24-17(20-10)12-3-2-8-19-9-12)16-22-21-15(23-16)11-4-6-13(18)7-5-11/h2-9H,1H3
InChIKeyASYALKMEXOVLCA-UHFFFAOYSA-N
XLogP4.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Bromophenyl)-5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29335654
2-(4-Phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 90643530
2-(4-Bromophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 38860121
2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 90643442
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 127049247
2-(4-Chlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127049555
2-(3-Methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127049918
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 127050733
2-(2-Chlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050735
2-(2,3-Dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050736
2-(2-Methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050738

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 127050734) is 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is ASYALKMEXOVLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4OS/c1-10-14(24-17(20-10)12-3-2-8-19-9-12)16-22-21-15(23-16)11-4-6-13(18)7-5-11/h2-9H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 399.27 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127050734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).