N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C14H9Br2N5O2S — CID 3303190

IUPACN-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C14H9Br2N5O2S/c15-9-5-10(16)12(18-6-9)19-11(22)7-24-14-21-20-13(23-14)8-1-3-17-4-2-8/h1-6H,7H2,(H,18,19,22)
InChIKeyJHCKNHYFKRNYJZ-UHFFFAOYSA-N
MW471.13 g/mol
LogP3.78
Rot. Bonds5

About N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3303190) has the molecular formula C14H9Br2N5O2S and a molecular weight of 471.13 g/mol. Its IUPAC name is N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3303190
Molecular FormulaC14H9Br2N5O2S
Molecular Weight471.13 g/mol
Exact Mass468.88
IUPAC NameN-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C14H9Br2N5O2S/c15-9-5-10(16)12(18-6-9)19-11(22)7-24-14-21-20-13(23-14)8-1-3-17-4-2-8/h1-6H,7H2,(H,18,19,22)
InChIKeyJHCKNHYFKRNYJZ-UHFFFAOYSA-N
XLogP3.78
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.13
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3522740
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide
CID 4291947
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 4267462
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
N-(2,4-difluorophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4281733
4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 134066941
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide
CID 1118802
N-[(2-bromophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 20895016
N-(4-bromo-3-chlorophenyl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126360110
N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762420
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 5240924
N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762625

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3303190) is N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccncc2)o1)Nc1ncc(Br)cc1Br.
What is the InChIKey of N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JHCKNHYFKRNYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N5O2S/c15-9-5-10(16)12(18-6-9)19-11(22)7-24-14-21-20-13(23-14)8-1-3-17-4-2-8/h1-6H,7H2,(H,18,19,22).
What are the key properties of N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 471.13 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3303190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).