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

C18H13N3O2S — CID 139241038

IUPAC3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H13N3O2S/c1-12-17(14-7-9-15(10-8-14)21(22)23)24-18-19-16(11-20(12)18)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyOXZFFNBZCSEACI-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.95
Rot. Bonds3

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

3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 139241038) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID139241038
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H13N3O2S/c1-12-17(14-7-9-15(10-8-14)21(22)23)24-18-19-16(11-20(12)18)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyOXZFFNBZCSEACI-UHFFFAOYSA-N
XLogP4.95
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.95
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-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole (CID 139241038) is 3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole is Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is OXZFFNBZCSEACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-12-17(14-7-9-15(10-8-14)21(22)23)24-18-19-16(11-20(12)18)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole?
3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 335.39 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139241038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).