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

C13H10ClN3O2S2 — CID 72737029

IUPAC6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc2sc(C3CN4C=CSC4=N3)cc2c1
InChIInChI=1S/C13H9N3O2S2.ClH/c17-16(18)9-1-2-11-8(5-9)6-12(20-11)10-7-15-3-4-19-13(15)14-10;/h1-6,10H,7H2;1H
InChIKeyHSADHYVJNYYZJE-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.16
Rot. Bonds2

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

6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 72737029) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID72737029
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC Name6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc2sc(C3CN4C=CSC4=N3)cc2c1
InChIInChI=1S/C13H9N3O2S2.ClH/c17-16(18)9-1-2-11-8(5-9)6-12(20-11)10-7-15-3-4-19-13(15)14-10;/h1-6,10H,7H2;1H
InChIKeyHSADHYVJNYYZJE-UHFFFAOYSA-N
XLogP4.16
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 72737029) is 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is Cl.O=[N+]([O-])c1ccc2sc(C3CN4C=CSC4=N3)cc2c1.
What is the InChIKey of 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is HSADHYVJNYYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S2.ClH/c17-16(18)9-1-2-11-8(5-9)6-12(20-11)10-7-15-3-4-19-13(15)14-10;/h1-6,10H,7H2;1H.
What are the key properties of 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-nitro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 72737029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).