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

C13H12BrN3O2S — CID 8503013

IUPAC2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H12BrN3O2S/c14-9-2-1-3-10(6-9)19-7-11(18)15-13-17-16-12(20-13)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,15,17,18)
InChIKeyBTRQBLFBKOOZKE-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.20
Rot. Bonds5

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

2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 8503013) has the molecular formula C13H12BrN3O2S and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID8503013
Molecular FormulaC13H12BrN3O2S
Molecular Weight354.23 g/mol
Exact Mass352.98
IUPAC Name2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H12BrN3O2S/c14-9-2-1-3-10(6-9)19-7-11(18)15-13-17-16-12(20-13)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,15,17,18)
InChIKeyBTRQBLFBKOOZKE-UHFFFAOYSA-N
XLogP3.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 29412100
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
2-(3-bromophenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7924008
N-(3-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1398596
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
2-(2-bromo-4-phenylphenoxy)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178697
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
CID 9451872
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630251
2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171472
5-[[2-(3-bromophenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43474292

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (CID 8503013) is 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1cccc(Br)c1)Nc1nnc(C2CC2)s1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BTRQBLFBKOOZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2S/c14-9-2-1-3-10(6-9)19-7-11(18)15-13-17-16-12(20-13)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,15,17,18).
What are the key properties of 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 354.23 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 8503013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).