4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline

C11H11N3S — CID 11557582

IUPAC4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline
SMILESNc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C11H11N3S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-4,7H,5-6,12H2
InChIKeyURHXFMOERPVENY-UHFFFAOYSA-N
MW217.30 g/mol
LogP1.99
Rot. Bonds1

About 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline

4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline (PubChem CID 11557582) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline.

Molecular Properties

Compound Name4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline
PubChem CID11557582
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline
SMILESNc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C11H11N3S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-4,7H,5-6,12H2
InChIKeyURHXFMOERPVENY-UHFFFAOYSA-N
XLogP1.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 51.99
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-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline?
The IUPAC name of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline (CID 11557582) is 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline.
What is the SMILES notation for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline?
The canonical SMILES for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline is Nc1ccc(C2=CSC3=NCCN23)cc1.
What is the InChIKey of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline?
The InChIKey is URHXFMOERPVENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-4,7H,5-6,12H2.
What are the key properties of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline?
4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline has a molecular weight of 217.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline is sourced from PubChem (CID 11557582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).