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

C10H6N4O2S — CID 2806480

IUPAC6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESO=[N+]([O-])c1ccc(-c2cn3ncsc3n2)cc1
InChIInChI=1S/C10H6N4O2S/c15-14(16)8-3-1-7(2-4-8)9-5-13-10(12-9)17-6-11-13/h1-6H
InChIKeyKJVMKUGUQCRPKW-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.37
Rot. Bonds2

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

6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 2806480) has the molecular formula C10H6N4O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID2806480
Molecular FormulaC10H6N4O2S
Molecular Weight246.25 g/mol
Exact Mass246.02
IUPAC Name6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESO=[N+]([O-])c1ccc(-c2cn3ncsc3n2)cc1
InChIInChI=1S/C10H6N4O2S/c15-14(16)8-3-1-7(2-4-8)9-5-13-10(12-9)17-6-11-13/h1-6H
InChIKeyKJVMKUGUQCRPKW-UHFFFAOYSA-N
XLogP2.37
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-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-(4-nitrophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209503
6-(4-bromophenyl)-2-(2-chloro-5-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 71505007
(2E)-6-(4-nitrophenyl)-2-(pyridin-4-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
CID 18778016
2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 45158613
4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine
CID 66592801
8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966608
7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 45158643
2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462587
2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
CID 82030712
4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 51133534

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 2806480) is 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole is O=[N+]([O-])c1ccc(-c2cn3ncsc3n2)cc1.
What is the InChIKey of 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KJVMKUGUQCRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2S/c15-14(16)8-3-1-7(2-4-8)9-5-13-10(12-9)17-6-11-13/h1-6H.
What are the key properties of 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 246.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 2806480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).