2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H15BrN4O2S2 — CID 1448013

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccccc2Br)o1)c1nc(C)cs1
InChIInChI=1S/C16H15BrN4O2S2/c1-3-21(15-18-10(2)8-24-15)13(22)9-25-16-20-19-14(23-16)11-6-4-5-7-12(11)17/h4-8H,3,9H2,1-2H3
InChIKeyHAJPSAYMYTYNHG-UHFFFAOYSA-N
MW439.36 g/mol
LogP4.41
Rot. Bonds6

About 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1448013) has the molecular formula C16H15BrN4O2S2 and a molecular weight of 439.36 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID1448013
Molecular FormulaC16H15BrN4O2S2
Molecular Weight439.36 g/mol
Exact Mass437.98
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccccc2Br)o1)c1nc(C)cs1
InChIInChI=1S/C16H15BrN4O2S2/c1-3-21(15-18-10(2)8-24-15)13(22)9-25-16-20-19-14(23-16)11-6-4-5-7-12(11)17/h4-8H,3,9H2,1-2H3
InChIKeyHAJPSAYMYTYNHG-UHFFFAOYSA-N
XLogP4.41
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 1448013) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCN(C(=O)CSc1nnc(-c2ccccc2Br)o1)c1nc(C)cs1.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HAJPSAYMYTYNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2S2/c1-3-21(15-18-10(2)8-24-15)13(22)9-25-16-20-19-14(23-16)11-6-4-5-7-12(11)17/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 439.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1448013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).