methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate

C6H11NO3S — CID 86153682

IUPACmethyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1CO
InChIInChI=1S/C6H11NO3S/c1-10-6(9)5-2-11-4-7(5)3-8/h5,8H,2-4H2,1H3
InChIKeyAGMRGTTVMCUIML-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.52
Rot. Bonds2

About methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate

methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 86153682) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate
PubChem CID86153682
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Namemethyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1CO
InChIInChI=1S/C6H11NO3S/c1-10-6(9)5-2-11-4-7(5)3-8/h5,8H,2-4H2,1H3
InChIKeyAGMRGTTVMCUIML-UHFFFAOYSA-N
XLogP-0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate
CID 11833733
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
CID 3023680
methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
CID 20624262
methyl 3-benzyl-1,3-thiazolidine-4-carboxylate;3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 159766642
methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate
CID 67755279
methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 14548324
ethyl 3-hexyl-1,3-thiazolidine-4-carboxylate
CID 3762108
methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 15052278
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate
CID 70387236
methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 95989117
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate (CID 86153682) is methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1CO.
What is the InChIKey of methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is AGMRGTTVMCUIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-10-6(9)5-2-11-4-7(5)3-8/h5,8H,2-4H2,1H3.
What are the key properties of methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate?
methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 177.22 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 86153682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).