5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine

C9H6N6O2S — CID 71388944

IUPAC5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2nc3ccccn3c2[N+](=O)[O-])s1
InChIInChI=1S/C9H6N6O2S/c10-9-13-12-7(18-9)6-8(15(16)17)14-4-2-1-3-5(14)11-6/h1-4H,(H2,10,13)
InChIKeyVWIOGVHDAWOODV-UHFFFAOYSA-N
MW262.25 g/mol
LogP1.34
Rot. Bonds2

About 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine

5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 71388944) has the molecular formula C9H6N6O2S and a molecular weight of 262.25 g/mol. Its IUPAC name is 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID71388944
Molecular FormulaC9H6N6O2S
Molecular Weight262.25 g/mol
Exact Mass262.03
IUPAC Name5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2nc3ccccn3c2[N+](=O)[O-])s1
InChIInChI=1S/C9H6N6O2S/c10-9-13-12-7(18-9)6-8(15(16)17)14-4-2-1-3-5(14)11-6/h1-4H,(H2,10,13)
InChIKeyVWIOGVHDAWOODV-UHFFFAOYSA-N
XLogP1.34
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
CID 57338731
1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine
CID 79542495
5-(1,4-dimethyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-amine
CID 10977551
2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114385734
3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline
CID 61036118
diethyl 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)propanedioate
CID 71388940
N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095479
N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 18095657
N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56800330
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 51112547
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitroimidazo[1,2-a]pyridine
CID 18127115
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095899

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine (CID 71388944) is 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2nc3ccccn3c2[N+](=O)[O-])s1.
What is the InChIKey of 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VWIOGVHDAWOODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O2S/c10-9-13-12-7(18-9)6-8(15(16)17)14-4-2-1-3-5(14)11-6/h1-4H,(H2,10,13).
What are the key properties of 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine?
5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 262.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 71388944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).