4-imidazo[2,1-b][1,3]thiazol-6-ylaniline

C11H9N3S — CID 877648

IUPAC4-imidazo[2,1-b][1,3]thiazol-6-ylaniline
SMILESNc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C11H9N3S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-7H,12H2
InChIKeyRYXSOPRSCTXCTD-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.64
Rot. Bonds1

About 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline

4-imidazo[2,1-b][1,3]thiazol-6-ylaniline (PubChem CID 877648) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]thiazol-6-ylaniline
PubChem CID877648
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-imidazo[2,1-b][1,3]thiazol-6-ylaniline
SMILESNc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C11H9N3S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-7H,12H2
InChIKeyRYXSOPRSCTXCTD-UHFFFAOYSA-N
XLogP2.64
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-imidazo[2,1-b][1,3]thiazol-6-ylaniline?
The IUPAC name of 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline (CID 877648) is 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline?
The canonical SMILES for 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline is Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline?
The InChIKey is RYXSOPRSCTXCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-7H,12H2.
What are the key properties of 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline?
4-imidazo[2,1-b][1,3]thiazol-6-ylaniline has a molecular weight of 215.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline is sourced from PubChem (CID 877648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).