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

C13H12ClN3S2 — CID 72737031

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride
SMILESCl.Nc1ccc2sc(C3CN4C=CSC4=N3)cc2c1
InChIInChI=1S/C13H11N3S2.ClH/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;1H
InChIKeyAAYUGJSPDGFFSN-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.84
Rot. Bonds1

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

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride (PubChem CID 72737031) has the molecular formula C13H12ClN3S2 and a molecular weight of 309.85 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride
PubChem CID72737031
Molecular FormulaC13H12ClN3S2
Molecular Weight309.85 g/mol
Exact Mass309.02
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride
SMILESCl.Nc1ccc2sc(C3CN4C=CSC4=N3)cc2c1
InChIInChI=1S/C13H11N3S2.ClH/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;1H
InChIKeyAAYUGJSPDGFFSN-UHFFFAOYSA-N
XLogP3.84
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.84
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;hydrochloride?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride (CID 72737031) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is AAYUGJSPDGFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2.ClH/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;1H.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-benzothiophen-5-amine;hydrochloride has a molecular weight of 309.85 g/mol, XLogP of 3.84, 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;hydrochloride is sourced from PubChem (CID 72737031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).