5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid

C7H8ClN3O4S2 — CID 71757494

IUPAC5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid
SMILESNc1ncc(-c2ccc(Cl)s2)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C7H6ClN3S.H2O4S/c8-6-2-1-5(12-6)4-3-10-7(9)11-4;1-5(2,3)4/h1-3H,(H3,9,10,11);(H2,1,2,3,4)
InChIKeyMOSOKXORRBDSRZ-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.72
Rot. Bonds1

About 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid

5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid (PubChem CID 71757494) has the molecular formula C7H8ClN3O4S2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid
PubChem CID71757494
Molecular FormulaC7H8ClN3O4S2
Molecular Weight297.75 g/mol
Exact Mass296.96
IUPAC Name5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid
SMILESNc1ncc(-c2ccc(Cl)s2)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C7H6ClN3S.H2O4S/c8-6-2-1-5(12-6)4-3-10-7(9)11-4;1-5(2,3)4/h1-3H,(H3,9,10,11);(H2,1,2,3,4)
InChIKeyMOSOKXORRBDSRZ-UHFFFAOYSA-N
XLogP1.72
TPSA129.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid (CID 71757494) is 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid is Nc1ncc(-c2ccc(Cl)s2)[nH]1.O=S(=O)(O)O.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid?
The InChIKey is MOSOKXORRBDSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S.H2O4S/c8-6-2-1-5(12-6)4-3-10-7(9)11-4;1-5(2,3)4/h1-3H,(H3,9,10,11);(H2,1,2,3,4).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid?
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid has a molecular weight of 297.75 g/mol, XLogP of 1.72, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid is sourced from PubChem (CID 71757494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).