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

C11H7N3O2S — CID 150456791

IUPAC2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccccc1-c1cn2ccnc2s1
InChIInChI=1S/C11H7N3O2S/c15-14(16)9-4-2-1-3-8(9)10-7-13-6-5-12-11(13)17-10/h1-7H
InChIKeyHOYMWPMQFUWKLN-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.97
Rot. Bonds2

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

2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 150456791) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID150456791
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1ccccc1-c1cn2ccnc2s1
InChIInChI=1S/C11H7N3O2S/c15-14(16)9-4-2-1-3-8(9)10-7-13-6-5-12-11(13)17-10/h1-7H
InChIKeyHOYMWPMQFUWKLN-UHFFFAOYSA-N
XLogP2.97
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.97
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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Related Compounds

2-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 20850051
ethyl 2-(2-aminophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylate;ethyl 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 158085251
2-(2-nitrophenyl)-1-benzothiophene
CID 14912770
2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 103282407
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652991
3-(2-nitrophenyl)-7-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
CID 5301645
5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271844
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 54770031
5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 103200812
1-nitro-2-phenylbenzene;pyridine
CID 174774599

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole (CID 150456791) is 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1ccccc1-c1cn2ccnc2s1.
What is the InChIKey of 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is HOYMWPMQFUWKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-14(16)9-4-2-1-3-8(9)10-7-13-6-5-12-11(13)17-10/h1-7H.
What are the key properties of 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 245.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 150456791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).