6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole

C16H11N3O3S — CID 19209639

IUPAC6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3cccc([N+](=O)[O-])c3)cn12
InChIInChI=1S/C16H11N3O3S/c1-22-12-5-6-14-15(8-12)23-16-17-13(9-18(14)16)10-3-2-4-11(7-10)19(20)21/h2-9H,1H3
InChIKeyJPVGFCINSDCZDE-UHFFFAOYSA-N
MW325.35 g/mol
LogP4.13
Rot. Bonds3

About 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole

6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209639) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID19209639
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3cccc([N+](=O)[O-])c3)cn12
InChIInChI=1S/C16H11N3O3S/c1-22-12-5-6-14-15(8-12)23-16-17-13(9-18(14)16)10-3-2-4-11(7-10)19(20)21/h2-9H,1H3
InChIKeyJPVGFCINSDCZDE-UHFFFAOYSA-N
XLogP4.13
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
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'}

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Related Compounds

2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
[2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22523647
2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
CID 137320011
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 122262586
N-(4-ethoxyphenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348992
N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523651
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41349039
2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523670
6-methoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 117071543
N-(3-acetamidophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 27461405
N-benzhydryl-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348991

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole (CID 19209639) is 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole is COc1ccc2c(c1)sc1nc(-c3cccc([N+](=O)[O-])c3)cn12.
What is the InChIKey of 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is JPVGFCINSDCZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c1-22-12-5-6-14-15(8-12)23-16-17-13(9-18(14)16)10-3-2-4-11(7-10)19(20)21/h2-9H,1H3.
What are the key properties of 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole?
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 325.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).