3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione

C11H9N3S2 — CID 82383751

IUPAC3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione
SMILESNn1cc(-c2csc3ccccc23)[nH]c1=S
InChIInChI=1S/C11H9N3S2/c12-14-5-9(13-11(14)15)8-6-16-10-4-2-1-3-7(8)10/h1-6H,12H2,(H,13,15)
InChIKeyLHTDRTQWCYOSJZ-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.14
Rot. Bonds1

About 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione

3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione (PubChem CID 82383751) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione
PubChem CID82383751
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione
SMILESNn1cc(-c2csc3ccccc23)[nH]c1=S
InChIInChI=1S/C11H9N3S2/c12-14-5-9(13-11(14)15)8-6-16-10-4-2-1-3-7(8)10/h1-6H,12H2,(H,13,15)
InChIKeyLHTDRTQWCYOSJZ-UHFFFAOYSA-N
XLogP3.14
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(1-benzothiophen-3-yl)-2-bromo-1H-imidazole
CID 116884338
5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828195
[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882144
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
CID 68946010
2-(1-benzothiophen-3-yl)-1-methylpyrrole
CID 134861873
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
3-methyl-1-benzothiophene;zinc
CID 70563074
3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione
CID 15422866
3-(1-benzothiophen-3-yl)-5-chloro-1,2,4-oxadiazole
CID 62698853
5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
CID 170201826
5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 116827364
2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole
CID 115911897

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione?
The IUPAC name of 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione (CID 82383751) is 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione?
The canonical SMILES for 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione is Nn1cc(-c2csc3ccccc23)[nH]c1=S.
What is the InChIKey of 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione?
The InChIKey is LHTDRTQWCYOSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c12-14-5-9(13-11(14)15)8-6-16-10-4-2-1-3-7(8)10/h1-6H,12H2,(H,13,15).
What are the key properties of 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione?
3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione has a molecular weight of 247.35 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione is sourced from PubChem (CID 82383751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).