5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole

C14H7N5O5S — CID 18230478

IUPAC5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(Oc2nc3sccn3c2[N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H7N5O5S/c20-18(21)9-3-4-10(11-8(9)2-1-5-15-11)24-12-13(19(22)23)17-6-7-25-14(17)16-12/h1-7H
InChIKeyWFTQIEZXAAUPPD-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.55
Rot. Bonds4

About 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole

5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole (PubChem CID 18230478) has the molecular formula C14H7N5O5S and a molecular weight of 357.31 g/mol. Its IUPAC name is 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole
PubChem CID18230478
Molecular FormulaC14H7N5O5S
Molecular Weight357.31 g/mol
Exact Mass357.02
IUPAC Name5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(Oc2nc3sccn3c2[N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H7N5O5S/c20-18(21)9-3-4-10(11-8(9)2-1-5-15-11)24-12-13(19(22)23)17-6-7-25-14(17)16-12/h1-7H
InChIKeyWFTQIEZXAAUPPD-UHFFFAOYSA-N
XLogP3.55
TPSA125.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 86972120
6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 47012917
3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
CID 133376928
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
1-O-methyl 6-O-[(5-nitroquinolin-8-yl)oxymethyl] hexanedioate
CID 149115733
8-(4-iodophenoxy)-5-nitroquinoline
CID 60726010
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
CID 106485625
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
CID 62348908
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 17440442
6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 16780125
2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
CID 133429749

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole (CID 18230478) is 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1ccc(Oc2nc3sccn3c2[N+](=O)[O-])c2ncccc12.
What is the InChIKey of 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole?
The InChIKey is WFTQIEZXAAUPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N5O5S/c20-18(21)9-3-4-10(11-8(9)2-1-5-15-11)24-12-13(19(22)23)17-6-7-25-14(17)16-12/h1-7H.
What are the key properties of 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole?
5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole has a molecular weight of 357.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 18230478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).