6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole

C15H16N4O3S — CID 75524480

IUPAC6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCCCCC2c2ccco2)nc2sccn12
InChIInChI=1S/C15H16N4O3S/c20-19(21)14-13(16-15-18(14)8-10-23-15)17-7-3-1-2-5-11(17)12-6-4-9-22-12/h4,6,8-11H,1-3,5,7H2
InChIKeyABSWNKGXXWSXPS-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.02
Rot. Bonds3

About 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole

6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 75524480) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID75524480
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCCCCC2c2ccco2)nc2sccn12
InChIInChI=1S/C15H16N4O3S/c20-19(21)14-13(16-15-18(14)8-10-23-15)17-7-3-1-2-5-11(17)12-6-4-9-22-12/h4,6,8-11H,1-3,5,7H2
InChIKeyABSWNKGXXWSXPS-UHFFFAOYSA-N
XLogP4.02
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.02
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

6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 94438283
cyclohexyl-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methanone
CID 99251972
[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]-phenylmethanone
CID 18142715
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxamide
CID 40724852
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
CID 115313596
3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
CID 133304580
cyclopropyl-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-diazepan-1-yl]methanone
CID 133498971
8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61235392
ethyl 1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylate
CID 51245763
N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide
CID 133287726
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide
CID 133355900
N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 133274109

Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole (CID 75524480) is 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(N2CCCCCC2c2ccco2)nc2sccn12.
What is the InChIKey of 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is ABSWNKGXXWSXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-19(21)14-13(16-15-18(14)8-10-23-15)17-7-3-1-2-5-11(17)12-6-4-9-22-12/h4,6,8-11H,1-3,5,7H2.
What are the key properties of 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 332.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 75524480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).