[4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride

C6H13ClN2OS — CID 18527629

IUPAC[4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride
SMILESC/[NH+]=C1/NC(C)(CO)CS1.[Cl-]
InChIInChI=1S/C6H12N2OS.ClH/c1-6(3-9)4-10-5(7-2)8-6;/h9H,3-4H2,1-2H3,(H,7,8);1H
InChIKeyODLDPOVPUBTSSZ-UHFFFAOYSA-N
MW196.70 g/mol
LogP-4.86
Rot. Bonds1

About [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride

[4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride (PubChem CID 18527629) has the molecular formula C6H13ClN2OS and a molecular weight of 196.70 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride
PubChem CID18527629
Molecular FormulaC6H13ClN2OS
Molecular Weight196.70 g/mol
Exact Mass196.04
IUPAC Name[4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride
SMILESC/[NH+]=C1/NC(C)(CO)CS1.[Cl-]
InChIInChI=1S/C6H12N2OS.ClH/c1-6(3-9)4-10-5(7-2)8-6;/h9H,3-4H2,1-2H3,(H,7,8);1H
InChIKeyODLDPOVPUBTSSZ-UHFFFAOYSA-N
XLogP-4.86
TPSA46.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 5-4.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride?
The IUPAC name of [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride (CID 18527629) is [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride.
What is the SMILES notation for [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride?
The canonical SMILES for [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride is C/[NH+]=C1/NC(C)(CO)CS1.[Cl-].
What is the InChIKey of [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride?
The InChIKey is ODLDPOVPUBTSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS.ClH/c1-6(3-9)4-10-5(7-2)8-6;/h9H,3-4H2,1-2H3,(H,7,8);1H.
What are the key properties of [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride?
[4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride has a molecular weight of 196.70 g/mol, XLogP of -4.86, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride is sourced from PubChem (CID 18527629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).