3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile

C12H5FN4O3S — CID 133376928

IUPAC3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H5FN4O3S/c13-8-5-7(6-14)1-2-9(8)20-10-11(17(18)19)16-3-4-21-12(16)15-10/h1-5H
InChIKeyXZLSSUNHGQPQHN-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.11
Rot. Bonds3

About 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile

3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile (PubChem CID 133376928) has the molecular formula C12H5FN4O3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
PubChem CID133376928
Molecular FormulaC12H5FN4O3S
Molecular Weight304.26 g/mol
Exact Mass304.01
IUPAC Name3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H5FN4O3S/c13-8-5-7(6-14)1-2-9(8)20-10-11(17(18)19)16-3-4-21-12(16)15-10/h1-5H
InChIKeyXZLSSUNHGQPQHN-UHFFFAOYSA-N
XLogP3.11
TPSA93.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.11
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'}

Analyze 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile
CID 107666116
6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 47012917
6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 86972120
5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole
CID 18230478
[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
CID 106485625
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid
CID 63851554
4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile
CID 103792103
4-(2,5-dimethyl-4-nitrophenoxy)-3-fluorobenzonitrile
CID 63180886
N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133273714
2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine
CID 51245760
4-(2-fluoro-4-nitrophenoxy)-3-methylbenzonitrile
CID 51892162
4-(2-amino-4-nitrophenoxy)-3-fluorobenzonitrile
CID 107670147

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile?
The IUPAC name of 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile (CID 133376928) is 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile.
What is the SMILES notation for 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile?
The canonical SMILES for 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile is N#Cc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])c(F)c1.
What is the InChIKey of 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile?
The InChIKey is XZLSSUNHGQPQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5FN4O3S/c13-8-5-7(6-14)1-2-9(8)20-10-11(17(18)19)16-3-4-21-12(16)15-10/h1-5H.
What are the key properties of 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile?
3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile has a molecular weight of 304.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile is sourced from PubChem (CID 133376928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).