2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole

C13H6FN5O3S2 — CID 18095231

IUPAC2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1c(Sc2nnc(-c3ccc(F)cc3)o2)nc2sccn12
InChIInChI=1S/C13H6FN5O3S2/c14-8-3-1-7(2-4-8)9-16-17-13(22-9)24-10-11(19(20)21)18-5-6-23-12(18)15-10/h1-6H
InChIKeyBSGPRMQNOMWVNH-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole (PubChem CID 18095231) has the molecular formula C13H6FN5O3S2 and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole
PubChem CID18095231
Molecular FormulaC13H6FN5O3S2
Molecular Weight363.36 g/mol
Exact Mass362.99
IUPAC Name2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1c(Sc2nnc(-c3ccc(F)cc3)o2)nc2sccn12
InChIInChI=1S/C13H6FN5O3S2/c14-8-3-1-7(2-4-8)9-16-17-13(22-9)24-10-11(19(20)21)18-5-6-23-12(18)15-10/h1-6H
InChIKeyBSGPRMQNOMWVNH-UHFFFAOYSA-N
XLogP3.64
TPSA99.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole (CID 18095231) is 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole is O=[N+]([O-])c1c(Sc2nnc(-c3ccc(F)cc3)o2)nc2sccn12.
What is the InChIKey of 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole?
The InChIKey is BSGPRMQNOMWVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FN5O3S2/c14-8-3-1-7(2-4-8)9-16-17-13(22-9)24-10-11(19(20)21)18-5-6-23-12(18)15-10/h1-6H.
What are the key properties of 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole has a molecular weight of 363.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 18095231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).