2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one

C4H7N3OS — CID 10154117

IUPAC2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(CS)C(=O)N1
InChIInChI=1S/C4H7N3OS/c5-4-6-2(1-9)3(8)7-4/h2,9H,1H2,(H3,5,6,7,8)
InChIKeyJTHQOEQNCCWDTH-UHFFFAOYSA-N
MW145.19 g/mol
LogP-1.27
Rot. Bonds1

About 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one

2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one (PubChem CID 10154117) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
PubChem CID10154117
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(CS)C(=O)N1
InChIInChI=1S/C4H7N3OS/c5-4-6-2(1-9)3(8)7-4/h2,9H,1H2,(H3,5,6,7,8)
InChIKeyJTHQOEQNCCWDTH-UHFFFAOYSA-N
XLogP-1.27
TPSA67.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one (CID 10154117) is 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one is NC1=NC(CS)C(=O)N1.
What is the InChIKey of 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is JTHQOEQNCCWDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c5-4-6-2(1-9)3(8)7-4/h2,9H,1H2,(H3,5,6,7,8).
What are the key properties of 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one?
2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 145.19 g/mol, XLogP of -1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 10154117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).