4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline

C16H13N3OS — CID 51002697

IUPAC4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(N)cc3)cn12
InChIInChI=1S/C16H13N3OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3
InChIKeyKHYLQHLGCZVNML-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.81
Rot. Bonds2

About 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline

4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (PubChem CID 51002697) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
PubChem CID51002697
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(N)cc3)cn12
InChIInChI=1S/C16H13N3OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3
InChIKeyKHYLQHLGCZVNML-UHFFFAOYSA-N
XLogP3.81
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The IUPAC name of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (CID 51002697) is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.
What is the SMILES notation for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The canonical SMILES for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is COc1ccc2c(c1)sc1nc(-c3ccc(N)cc3)cn12.
What is the InChIKey of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The InChIKey is KHYLQHLGCZVNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3.
What are the key properties of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline has a molecular weight of 295.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is sourced from PubChem (CID 51002697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).