2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine

C13H11N3S2 — CID 72699026

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine
SMILESNc1ccc2sc(C3CN4C=CSC4=N3)cc2c1
InChIInChI=1S/C13H11N3S2/c14-9-1-2-11-8(5-9)6-12(18-11)10-7-16-3-4-17-13(16)15-10/h1-6,10H,7,14H2
InChIKeyQBUGINCPNXHNSQ-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.41
Rot. Bonds1

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

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine (PubChem CID 72699026) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine
PubChem CID72699026
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine
SMILESNc1ccc2sc(C3CN4C=CSC4=N3)cc2c1
InChIInChI=1S/C13H11N3S2/c14-9-1-2-11-8(5-9)6-12(18-11)10-7-16-3-4-17-13(16)15-10/h1-6,10H,7,14H2
InChIKeyQBUGINCPNXHNSQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.41
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 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine (CID 72699026) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine is Nc1ccc2sc(C3CN4C=CSC4=N3)cc2c1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine?
The InChIKey is QBUGINCPNXHNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c14-9-1-2-11-8(5-9)6-12(18-11)10-7-16-3-4-17-13(16)15-10/h1-6,10H,7,14H2.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine has a molecular weight of 273.39 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine is sourced from PubChem (CID 72699026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).