3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C18H11N3O4S — CID 82035378

IUPAC3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2scc(-c3cccc([N+](=O)[O-])c3)n12
InChIInChI=1S/C18H11N3O4S/c22-17(23)16-15(11-5-2-1-3-6-11)19-18-20(16)14(10-26-18)12-7-4-8-13(9-12)21(24)25/h1-10H,(H,22,23)
InChIKeyDMYSJDFHUBULPA-UHFFFAOYSA-N
MW365.37 g/mol
LogP4.34
Rot. Bonds4

About 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035378) has the molecular formula C18H11N3O4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035378
Molecular FormulaC18H11N3O4S
Molecular Weight365.37 g/mol
Exact Mass365.05
IUPAC Name3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2scc(-c3cccc([N+](=O)[O-])c3)n12
InChIInChI=1S/C18H11N3O4S/c22-17(23)16-15(11-5-2-1-3-6-11)19-18-20(16)14(10-26-18)12-7-4-8-13(9-12)21(24)25/h1-10H,(H,22,23)
InChIKeyDMYSJDFHUBULPA-UHFFFAOYSA-N
XLogP4.34
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
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'}

Analyze 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035539
6-(3-methoxyphenyl)-3-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198698
[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine
CID 82105489
2-[3-(3-nitrophenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]isoindole-1,3-dione
CID 23965363
9-(4-nitrophenyl)-12-phenyl-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
CID 101436709
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
3-(3-nitrophenyl)-6-[3-(3-nitrophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline
CID 59800540
3-cyclohexyl-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 20994492
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035378) is 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1c(-c2ccccc2)nc2scc(-c3cccc([N+](=O)[O-])c3)n12.
What is the InChIKey of 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is DMYSJDFHUBULPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O4S/c22-17(23)16-15(11-5-2-1-3-6-11)19-18-20(16)14(10-26-18)12-7-4-8-13(9-12)21(24)25/h1-10H,(H,22,23).
What are the key properties of 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 365.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).