6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole

C11H8N4O3S — CID 47277082

IUPAC6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(Oc3ccc([N+](=O)[O-])cc3)sc2n1
InChIInChI=1S/C11H8N4O3S/c1-7-6-14-10(12-7)19-11(13-14)18-9-4-2-8(3-5-9)15(16)17/h2-6H,1H3
InChIKeyVYHLWSLAOCUGLR-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.80
Rot. Bonds3

About 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole

6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 47277082) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID47277082
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC Name6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(Oc3ccc([N+](=O)[O-])cc3)sc2n1
InChIInChI=1S/C11H8N4O3S/c1-7-6-14-10(12-7)19-11(13-14)18-9-4-2-8(3-5-9)15(16)17/h2-6H,1H3
InChIKeyVYHLWSLAOCUGLR-UHFFFAOYSA-N
XLogP2.80
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462587
2-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 4173731
2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209390
6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 71911952
[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920854
2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
CID 137320011
1-[(4-methoxyphenyl)methyl]-3-methyl-4-(4-nitrophenoxy)pyrazole
CID 174580999
2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine
CID 122135394
[5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid
CID 87714368
6-(4-nitrophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209503
5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine
CID 10853353
6-(4-nitrophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966351

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole (CID 47277082) is 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole is Cc1cn2nc(Oc3ccc([N+](=O)[O-])cc3)sc2n1.
What is the InChIKey of 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VYHLWSLAOCUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S/c1-7-6-14-10(12-7)19-11(13-14)18-9-4-2-8(3-5-9)15(16)17/h2-6H,1H3.
What are the key properties of 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole?
6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 276.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 47277082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).