7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole

C6H2F3N3O2S — CID 15917068

IUPAC7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ncn2c(C(F)(F)F)csc12
InChIInChI=1S/C6H2F3N3O2S/c7-6(8,9)3-1-15-5-4(12(13)14)10-2-11(3)5/h1-2H
InChIKeyDTGGNXQIVYWJOA-UHFFFAOYSA-N
MW237.16 g/mol
LogP2.32
Rot. Bonds1

About 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole

7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole (PubChem CID 15917068) has the molecular formula C6H2F3N3O2S and a molecular weight of 237.16 g/mol. Its IUPAC name is 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole
PubChem CID15917068
Molecular FormulaC6H2F3N3O2S
Molecular Weight237.16 g/mol
Exact Mass236.98
IUPAC Name7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ncn2c(C(F)(F)F)csc12
InChIInChI=1S/C6H2F3N3O2S/c7-6(8,9)3-1-15-5-4(12(13)14)10-2-11(3)5/h1-2H
InChIKeyDTGGNXQIVYWJOA-UHFFFAOYSA-N
XLogP2.32
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole (CID 15917068) is 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole is O=[N+]([O-])c1ncn2c(C(F)(F)F)csc12.
What is the InChIKey of 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole?
The InChIKey is DTGGNXQIVYWJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3N3O2S/c7-6(8,9)3-1-15-5-4(12(13)14)10-2-11(3)5/h1-2H.
What are the key properties of 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole?
7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole has a molecular weight of 237.16 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 15917068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).