[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane

C16H13N2PS — CID 145482411

IUPAC[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
SMILESCc1ccc(-c2cn3c(n2)sc2cc(P)ccc23)cc1
InChIInChI=1S/C16H13N2PS/c1-10-2-4-11(5-3-10)13-9-18-14-7-6-12(19)8-15(14)20-16(18)17-13/h2-9H,19H2,1H3
InChIKeyQJDCELCIAOSQRS-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.02
Rot. Bonds1

About [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane

[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane (PubChem CID 145482411) has the molecular formula C16H13N2PS and a molecular weight of 296.34 g/mol. Its IUPAC name is [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane.

Molecular Properties

Compound Name[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
PubChem CID145482411
Molecular FormulaC16H13N2PS
Molecular Weight296.34 g/mol
Exact Mass296.05
IUPAC Name[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
SMILESCc1ccc(-c2cn3c(n2)sc2cc(P)ccc23)cc1
InChIInChI=1S/C16H13N2PS/c1-10-2-4-11(5-3-10)13-9-18-14-7-6-12(19)8-15(14)20-16(18)17-13/h2-9H,19H2,1H3
InChIKeyQJDCELCIAOSQRS-UHFFFAOYSA-N
XLogP4.02
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
5-amino-1-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167596733
4-(6-(123I)iodoimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethyl(123I)aniline
CID 24756735
2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
CID 1211584
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-(2-methylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523505
6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607435
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide
CID 66795428

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane?
The IUPAC name of [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane (CID 145482411) is [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane.
What is the SMILES notation for [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane?
The canonical SMILES for [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane is Cc1ccc(-c2cn3c(n2)sc2cc(P)ccc23)cc1.
What is the InChIKey of [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane?
The InChIKey is QJDCELCIAOSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2PS/c1-10-2-4-11(5-3-10)13-9-18-14-7-6-12(19)8-15(14)20-16(18)17-13/h2-9H,19H2,1H3.
What are the key properties of [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane?
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane has a molecular weight of 296.34 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane is sourced from PubChem (CID 145482411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).