3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole

C12H9N3O2S — CID 3926234

IUPAC3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(-c3ccc([N+](=O)[O-])cc3)cn12
InChIInChI=1S/C12H9N3O2S/c1-8-7-18-12-13-11(6-14(8)12)9-2-4-10(5-3-9)15(16)17/h2-7H,1H3
InChIKeyUZZMSDAZUUEXEY-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.28
Rot. Bonds2

About 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole

3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 3926234) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID3926234
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(-c3ccc([N+](=O)[O-])cc3)cn12
InChIInChI=1S/C12H9N3O2S/c1-8-7-18-12-13-11(6-14(8)12)9-2-4-10(5-3-9)15(16)17/h2-7H,1H3
InChIKeyUZZMSDAZUUEXEY-UHFFFAOYSA-N
XLogP3.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.28
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 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole (CID 3926234) is 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole is Cc1csc2nc(-c3ccc([N+](=O)[O-])cc3)cn12.
What is the InChIKey of 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is UZZMSDAZUUEXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-8-7-18-12-13-11(6-14(8)12)9-2-4-10(5-3-9)15(16)17/h2-7H,1H3.
What are the key properties of 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 259.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3926234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).