1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione

C7H14N2OS2 — CID 20699061

IUPAC1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
SMILESCNCC(=S)N1CSCC1CO
InChIInChI=1S/C7H14N2OS2/c1-8-2-7(11)9-5-12-4-6(9)3-10/h6,8,10H,2-5H2,1H3
InChIKeySGLFPQDEHWEQLM-UHFFFAOYSA-N
MW206.34 g/mol
LogP-0.10
Rot. Bonds3

About 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione

1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione (PubChem CID 20699061) has the molecular formula C7H14N2OS2 and a molecular weight of 206.34 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
PubChem CID20699061
Molecular FormulaC7H14N2OS2
Molecular Weight206.34 g/mol
Exact Mass206.05
IUPAC Name1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
SMILESCNCC(=S)N1CSCC1CO
InChIInChI=1S/C7H14N2OS2/c1-8-2-7(11)9-5-12-4-6(9)3-10/h6,8,10H,2-5H2,1H3
InChIKeySGLFPQDEHWEQLM-UHFFFAOYSA-N
XLogP-0.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648623
1-[2-(Hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
CID 20699047
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
CID 20699050
2-[4-(Aminomethyl)-1,3-thiazolidin-3-yl]ethanol
CID 58858749
2-Amino-1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]ethanethione
CID 141924905

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione?
The IUPAC name of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione (CID 20699061) is 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione?
The canonical SMILES for 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione is CNCC(=S)N1CSCC1CO.
What is the InChIKey of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione?
The InChIKey is SGLFPQDEHWEQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS2/c1-8-2-7(11)9-5-12-4-6(9)3-10/h6,8,10H,2-5H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione?
1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione has a molecular weight of 206.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione is sourced from PubChem (CID 20699061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).