1-(hydroxymethyl)imidazolidine-2-carbothialdehyde

C5H10N2OS — CID 175391747

IUPAC1-(hydroxymethyl)imidazolidine-2-carbothialdehyde
SMILESOCN1CCNC1C=S
InChIInChI=1S/C5H10N2OS/c8-4-7-2-1-6-5(7)3-9/h3,5-6,8H,1-2,4H2
InChIKeyQGKXYOVGNXVDGQ-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.83
Rot. Bonds2

About 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde

1-(hydroxymethyl)imidazolidine-2-carbothialdehyde (PubChem CID 175391747) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde.

Molecular Properties

Compound Name1-(hydroxymethyl)imidazolidine-2-carbothialdehyde
PubChem CID175391747
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name1-(hydroxymethyl)imidazolidine-2-carbothialdehyde
SMILESOCN1CCNC1C=S
InChIInChI=1S/C5H10N2OS/c8-4-7-2-1-6-5(7)3-9/h3,5-6,8H,1-2,4H2
InChIKeyQGKXYOVGNXVDGQ-UHFFFAOYSA-N
XLogP-0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde?
The IUPAC name of 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde (CID 175391747) is 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde.
What is the SMILES notation for 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde?
The canonical SMILES for 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde is OCN1CCNC1C=S.
What is the InChIKey of 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde?
The InChIKey is QGKXYOVGNXVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c8-4-7-2-1-6-5(7)3-9/h3,5-6,8H,1-2,4H2.
What are the key properties of 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde?
1-(hydroxymethyl)imidazolidine-2-carbothialdehyde has a molecular weight of 146.22 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)imidazolidine-2-carbothialdehyde is sourced from PubChem (CID 175391747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).