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

C11H9N3S — CID 3312672

IUPAC3-imidazo[2,1-b][1,3]thiazol-6-ylaniline
SMILESNc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C11H9N3S/c12-9-3-1-2-8(6-9)10-7-14-4-5-15-11(14)13-10/h1-7H,12H2
InChIKeyASXLSRKDSOSGQE-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.64
Rot. Bonds1

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

3-imidazo[2,1-b][1,3]thiazol-6-ylaniline (PubChem CID 3312672) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline.

Molecular Properties

Compound Name3-imidazo[2,1-b][1,3]thiazol-6-ylaniline
PubChem CID3312672
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name3-imidazo[2,1-b][1,3]thiazol-6-ylaniline
SMILESNc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C11H9N3S/c12-9-3-1-2-8(6-9)10-7-14-4-5-15-11(14)13-10/h1-7H,12H2
InChIKeyASXLSRKDSOSGQE-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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Related Compounds

6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
6-Phenyl-2,3-dihydroimidazo(2,1-b)thiazole
CID 432820
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Aminothiazole 7
CID 5329389
Pifithrin-Beta
CID 443278
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
4-phenyl-N-(3-pyridinyl)-2-thiazolamine
CID 697807
N-(4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)acetamide
CID 2813255
[1,3]Thiazolo[3,2-a]benzimidazole
CID 658562

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline?
The IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline (CID 3312672) is 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline.
What is the SMILES notation for 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline?
The canonical SMILES for 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline is Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline?
The InChIKey is ASXLSRKDSOSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-9-3-1-2-8(6-9)10-7-14-4-5-15-11(14)13-10/h1-7H,12H2.
What are the key properties of 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline?
3-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 3-imidazo[2,1-b][1,3]thiazol-6-ylaniline is sourced from PubChem (CID 3312672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).