1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione

C7H15N3O2S — CID 3275496

IUPAC1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione
SMILESOCCNCN1CCN(CO)C1=S
InChIInChI=1S/C7H15N3O2S/c11-4-1-8-5-9-2-3-10(6-12)7(9)13/h8,11-12H,1-6H2
InChIKeyDOYYCGVPMOPXES-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.62
Rot. Bonds5

About 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione

1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione (PubChem CID 3275496) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione
PubChem CID3275496
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione
SMILESOCCNCN1CCN(CO)C1=S
InChIInChI=1S/C7H15N3O2S/c11-4-1-8-5-9-2-3-10(6-12)7(9)13/h8,11-12H,1-6H2
InChIKeyDOYYCGVPMOPXES-UHFFFAOYSA-N
XLogP-1.62
TPSA58.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione?
The IUPAC name of 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione (CID 3275496) is 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione.
What is the SMILES notation for 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione?
The canonical SMILES for 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione is OCCNCN1CCN(CO)C1=S.
What is the InChIKey of 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione?
The InChIKey is DOYYCGVPMOPXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c11-4-1-8-5-9-2-3-10(6-12)7(9)13/h8,11-12H,1-6H2.
What are the key properties of 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione?
1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione has a molecular weight of 205.28 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione is sourced from PubChem (CID 3275496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).