5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole

C17H11N3O2S — CID 139191662

IUPAC5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(-c2c(-c3ccccc3)nc3sccn23)cc1
InChIInChI=1S/C17H11N3O2S/c21-20(22)14-8-6-13(7-9-14)16-15(12-4-2-1-3-5-12)18-17-19(16)10-11-23-17/h1-11H
InChIKeyVBWFBKADHLCTQG-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.64
Rot. Bonds3

About 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole

5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 139191662) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID139191662
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccc(-c2c(-c3ccccc3)nc3sccn23)cc1
InChIInChI=1S/C17H11N3O2S/c21-20(22)14-8-6-13(7-9-14)16-15(12-4-2-1-3-5-12)18-17-19(16)10-11-23-17/h1-11H
InChIKeyVBWFBKADHLCTQG-UHFFFAOYSA-N
XLogP4.64
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.64
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'}

Analyze 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole 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

6-(4-nitrophenyl)-7-thiophen-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44721571
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
6-phenyl-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 58541804
3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-methyl-2-nitrobutyl)aniline
CID 68506562
11-(4-nitrophenyl)-20-oxa-5-thia-3,8,12-triazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,6,11,14,16,18-octaen-9-one
CID 132517705
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 69376666
5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 42666953
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
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
(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine
CID 6267892

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole (CID 139191662) is 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1ccc(-c2c(-c3ccccc3)nc3sccn23)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is VBWFBKADHLCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-20(22)14-8-6-13(7-9-14)16-15(12-4-2-1-3-5-12)18-17-19(16)10-11-23-17/h1-11H.
What are the key properties of 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole?
5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 321.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139191662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).