1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione

C7H10N2S — CID 134374046

IUPAC1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
SMILESCc1[nH]c(=S)n2c1CCC2
InChIInChI=1S/C7H10N2S/c1-5-6-3-2-4-9(6)7(10)8-5/h2-4H2,1H3,(H,8,10)
InChIKeyXWSOXWOLSMOFPZ-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.80
Rot. Bonds

About 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione

1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione (PubChem CID 134374046) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione.

Molecular Properties

Compound Name1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
PubChem CID134374046
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
SMILESCc1[nH]c(=S)n2c1CCC2
InChIInChI=1S/C7H10N2S/c1-5-6-3-2-4-9(6)7(10)8-5/h2-4H2,1H3,(H,8,10)
InChIKeyXWSOXWOLSMOFPZ-UHFFFAOYSA-N
XLogP1.80
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The IUPAC name of 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione (CID 134374046) is 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione.
What is the SMILES notation for 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The canonical SMILES for 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione is Cc1[nH]c(=S)n2c1CCC2.
What is the InChIKey of 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The InChIKey is XWSOXWOLSMOFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-5-6-3-2-4-9(6)7(10)8-5/h2-4H2,1H3,(H,8,10).
What are the key properties of 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione has a molecular weight of 154.24 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione is sourced from PubChem (CID 134374046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).