methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

C7H13NO2S — CID 11389701

IUPACmethyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1NCSC1(C)C
InChIInChI=1S/C7H13NO2S/c1-7(2)5(6(9)10-3)8-4-11-7/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyVQAXIQTYFVLHJT-YFKPBYRVSA-N
MW175.25 g/mol
LogP0.60
Rot. Bonds1

About methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 11389701) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID11389701
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Namemethyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1NCSC1(C)C
InChIInChI=1S/C7H13NO2S/c1-7(2)5(6(9)10-3)8-4-11-7/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyVQAXIQTYFVLHJT-YFKPBYRVSA-N
XLogP0.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethylthiazolidine-4-carboxylic acid, (R)-
CID 5715192
5,5-Dimethyl-4-thiazolidinecarboxylic acid
CID 85822
4-Thiazolidinecarboxylic acid, methyl ester
CID 93329
Methyl thiazolidine-4-carboxylate hydrochloride
CID 170893
5,5-dimethylthiazolidine-4-carboxylic acid, (S)-
CID 2817450
Methyl (R)-thiazolidine-4-carboxylate
CID 845041
4-Thiazolidinecarboxylic acid, methyl ester, (S)-
CID 845039
Methyl (R)-thiazolidine-4-carboxylate hydrochloride
CID 6455225
Methyl 2-(methylamino)-4-(methylsulfanyl)butanoate
CID 23436119
5,5-Dimethyl-2-oxo-thiazolidine-4-carboxylic acid methyl ester
CID 13869682
methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 97184103
methyl (2S,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 97184104

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (CID 11389701) is methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1NCSC1(C)C.
What is the InChIKey of methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is VQAXIQTYFVLHJT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2)5(6(9)10-3)8-4-11-7/h5,8H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 175.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 11389701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).