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

C9H18N2OS2 — CID 20699047

IUPAC1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
SMILESCNCC(=S)N1C(CO)SCC1(C)C
InChIInChI=1S/C9H18N2OS2/c1-9(2)6-14-8(5-12)11(9)7(13)4-10-3/h8,10,12H,4-6H2,1-3H3
InChIKeyJOUDVZNUQPQGLN-UHFFFAOYSA-N
MW234.39 g/mol
LogP0.68
Rot. Bonds3

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

1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione (PubChem CID 20699047) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
PubChem CID20699047
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC Name1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
SMILESCNCC(=S)N1C(CO)SCC1(C)C
InChIInChI=1S/C9H18N2OS2/c1-9(2)6-14-8(5-12)11(9)7(13)4-10-3/h8,10,12H,4-6H2,1-3H3
InChIKeyJOUDVZNUQPQGLN-UHFFFAOYSA-N
XLogP0.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.68
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-[2-(Hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648596
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
CID 20699050
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
CID 20699061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione?
The IUPAC name of 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione (CID 20699047) is 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione.
What is the SMILES notation for 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione?
The canonical SMILES for 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione is CNCC(=S)N1C(CO)SCC1(C)C.
What is the InChIKey of 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione?
The InChIKey is JOUDVZNUQPQGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-9(2)6-14-8(5-12)11(9)7(13)4-10-3/h8,10,12H,4-6H2,1-3H3.
What are the key properties of 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione?
1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione has a molecular weight of 234.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione is sourced from PubChem (CID 20699047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).