2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C12H8BrN3OS2 — CID 78885285

IUPAC2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESBrc1cc(CSc2nnc(-c3ccncc3)o2)cs1
InChIInChI=1S/C12H8BrN3OS2/c13-10-5-8(6-18-10)7-19-12-16-15-11(17-12)9-1-3-14-4-2-9/h1-6H,7H2
InChIKeyBWUWCRWKFPTBPR-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.25
Rot. Bonds4

About 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 78885285) has the molecular formula C12H8BrN3OS2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID78885285
Molecular FormulaC12H8BrN3OS2
Molecular Weight354.25 g/mol
Exact Mass352.93
IUPAC Name2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESBrc1cc(CSc2nnc(-c3ccncc3)o2)cs1
InChIInChI=1S/C12H8BrN3OS2/c13-10-5-8(6-18-10)7-19-12-16-15-11(17-12)9-1-3-14-4-2-9/h1-6H,7H2
InChIKeyBWUWCRWKFPTBPR-UHFFFAOYSA-N
XLogP4.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212253
2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 118267192
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 30398927
3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 6957488
4-[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide
CID 1459183
2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 717082
2-[[4-(3-nitrophenyl)phenyl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212308
2-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 1309344
2-(4-bromophenyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 24521262
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 30782857
2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 18582994

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 78885285) is 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is Brc1cc(CSc2nnc(-c3ccncc3)o2)cs1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is BWUWCRWKFPTBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS2/c13-10-5-8(6-18-10)7-19-12-16-15-11(17-12)9-1-3-14-4-2-9/h1-6H,7H2.
What are the key properties of 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 354.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 78885285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).