2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C15H11BrN4O2S — CID 2309669

IUPAC2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H11BrN4O2S/c16-11-3-5-12(6-4-11)22-9-13(21)18-15-20-19-14(23-15)10-2-1-7-17-8-10/h1-8H,9H2,(H,18,20,21)
InChIKeyKRDMDDCWRQNQCG-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2309669) has the molecular formula C15H11BrN4O2S and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2309669
Molecular FormulaC15H11BrN4O2S
Molecular Weight391.25 g/mol
Exact Mass389.98
IUPAC Name2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H11BrN4O2S/c16-11-3-5-12(6-4-11)22-9-13(21)18-15-20-19-14(23-15)10-2-1-7-17-8-10/h1-8H,9H2,(H,18,20,21)
InChIKeyKRDMDDCWRQNQCG-UHFFFAOYSA-N
XLogP3.38
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929361
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1402105
N-(2-Methoxy-ethyl)-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 644535
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
2-(2-Fluoro-phenoxy)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 921459
N-Allyl-2-phenoxy-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1076248
2-(4-bromophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 3288277
N-Methyl-2-phenoxy-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 654520
2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2320014
2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 3683312
2-(2,4-Dichlorophenoxy)-N-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4132414

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2309669) is 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc(Br)cc1)Nc1nnc(-c2cccnc2)s1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KRDMDDCWRQNQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2S/c16-11-3-5-12(6-4-11)22-9-13(21)18-15-20-19-14(23-15)10-2-1-7-17-8-10/h1-8H,9H2,(H,18,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 391.25 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2309669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).