5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole

C12H6F3N3O2S2 — CID 1482509

IUPAC5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12
InChIInChI=1S/C12H6F3N3O2S2/c13-12(14,15)7-2-1-3-8(6-7)22-9-10(18(19)20)17-4-5-21-11(17)16-9/h1-6H
InChIKeyUFTYEPXPLPTGJD-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.47
Rot. Bonds3

About 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole

5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole (PubChem CID 1482509) has the molecular formula C12H6F3N3O2S2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole
PubChem CID1482509
Molecular FormulaC12H6F3N3O2S2
Molecular Weight345.33 g/mol
Exact Mass344.99
IUPAC Name5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12
InChIInChI=1S/C12H6F3N3O2S2/c13-12(14,15)7-2-1-3-8(6-7)22-9-10(18(19)20)17-4-5-21-11(17)16-9/h1-6H
InChIKeyUFTYEPXPLPTGJD-UHFFFAOYSA-N
XLogP4.47
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole (CID 1482509) is 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12.
What is the InChIKey of 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole?
The InChIKey is UFTYEPXPLPTGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O2S2/c13-12(14,15)7-2-1-3-8(6-7)22-9-10(18(19)20)17-4-5-21-11(17)16-9/h1-6H.
What are the key properties of 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole?
5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole has a molecular weight of 345.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1482509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).