2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide

C14H9Br2N3O2S — CID 1118802

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C14H9Br2N3O2S/c15-8-5-9(16)13(17-6-8)19-12(20)7-22-14-18-10-3-1-2-4-11(10)21-14/h1-6H,7H2,(H,17,19,20)
InChIKeyJIPYFUVICOIRGW-UHFFFAOYSA-N
MW443.12 g/mol
LogP4.48
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide (PubChem CID 1118802) has the molecular formula C14H9Br2N3O2S and a molecular weight of 443.12 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide
PubChem CID1118802
Molecular FormulaC14H9Br2N3O2S
Molecular Weight443.12 g/mol
Exact Mass440.88
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C14H9Br2N3O2S/c15-8-5-9(16)13(17-6-8)19-12(20)7-22-14-18-10-3-1-2-4-11(10)21-14/h1-6H,7H2,(H,17,19,20)
InChIKeyJIPYFUVICOIRGW-UHFFFAOYSA-N
XLogP4.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.12
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 1238973
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide
CID 4291947
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
CID 742356
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
CID 12706412
N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3303190
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-bromobenzohydrazide
CID 9340002
N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3522740
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979352
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 23932146
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2-bromophenyl)methylideneamino]acetamide
CID 1418545
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 975863

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide (CID 1118802) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1ncc(Br)cc1Br.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide?
The InChIKey is JIPYFUVICOIRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O2S/c15-8-5-9(16)13(17-6-8)19-12(20)7-22-14-18-10-3-1-2-4-11(10)21-14/h1-6H,7H2,(H,17,19,20).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide has a molecular weight of 443.12 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide is sourced from PubChem (CID 1118802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).