[(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea

C6H11N5O2S2 — CID 65214168

IUPAC[(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea
SMILESCc1nc(S(=O)(=O)NNC(N)=S)cn1C
InChIInChI=1S/C6H11N5O2S2/c1-4-8-5(3-11(4)2)15(12,13)10-9-6(7)14/h3,10H,1-2H3,(H3,7,9,14)
InChIKeyVMNDZSQXIODEOS-UHFFFAOYSA-N
MW249.32 g/mol
LogP-1.24
Rot. Bonds3

About [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea

[(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea (PubChem CID 65214168) has the molecular formula C6H11N5O2S2 and a molecular weight of 249.32 g/mol. Its IUPAC name is [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea.

Molecular Properties

Compound Name[(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea
PubChem CID65214168
Molecular FormulaC6H11N5O2S2
Molecular Weight249.32 g/mol
Exact Mass249.04
IUPAC Name[(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea
SMILESCc1nc(S(=O)(=O)NNC(N)=S)cn1C
InChIInChI=1S/C6H11N5O2S2/c1-4-8-5(3-11(4)2)15(12,13)10-9-6(7)14/h3,10H,1-2H3,(H3,7,9,14)
InChIKeyVMNDZSQXIODEOS-UHFFFAOYSA-N
XLogP-1.24
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea?
The IUPAC name of [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea (CID 65214168) is [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea.
What is the SMILES notation for [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea?
The canonical SMILES for [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea is Cc1nc(S(=O)(=O)NNC(N)=S)cn1C.
What is the InChIKey of [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea?
The InChIKey is VMNDZSQXIODEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2S2/c1-4-8-5(3-11(4)2)15(12,13)10-9-6(7)14/h3,10H,1-2H3,(H3,7,9,14).
What are the key properties of [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea?
[(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea has a molecular weight of 249.32 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea is sourced from PubChem (CID 65214168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).