2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide

C18H13BrN4O2S — CID 3432149

IUPAC2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C18H13BrN4O2S/c19-13-6-8-14(9-7-13)25-11-16(24)21-17-22-23-10-15(20-18(23)26-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,24)
InChIKeySKWFNPBXQIZXSW-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide

2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide (PubChem CID 3432149) has the molecular formula C18H13BrN4O2S and a molecular weight of 429.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide
PubChem CID3432149
Molecular FormulaC18H13BrN4O2S
Molecular Weight429.30 g/mol
Exact Mass427.99
IUPAC Name2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C18H13BrN4O2S/c19-13-6-8-14(9-7-13)25-11-16(24)21-17-22-23-10-15(20-18(23)26-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,24)
InChIKeySKWFNPBXQIZXSW-UHFFFAOYSA-N
XLogP4.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
CID 4799639
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
CID 2127052
2-(4-bromophenoxy)-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 35524705
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
6-(4-bromophenyl)-2-(naphthalen-2-yloxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 44603922
2-(4-bromophenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4699584
2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 166369763
2-(4-bromophenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17358376
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 16813800
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide (CID 3432149) is 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide is O=C(COc1ccc(Br)cc1)Nc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide?
The InChIKey is SKWFNPBXQIZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2S/c19-13-6-8-14(9-7-13)25-11-16(24)21-17-22-23-10-15(20-18(23)26-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,24).
What are the key properties of 2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide?
2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide has a molecular weight of 429.30 g/mol, XLogP of 4.24, 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-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3432149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).