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

C5H9NO2S — CID 845039

IUPACmethyl (4S)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CSCN1
InChIInChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3/t4-/m1/s1
InChIKeyNHBNAVLHRAPNKY-SCSAIBSYSA-N
MW147.20 g/mol
LogP-0.18
Rot. Bonds1

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

methyl (4S)-1,3-thiazolidine-4-carboxylate (PubChem CID 845039) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is methyl (4S)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-1,3-thiazolidine-4-carboxylate
PubChem CID845039
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Namemethyl (4S)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CSCN1
InChIInChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3/t4-/m1/s1
InChIKeyNHBNAVLHRAPNKY-SCSAIBSYSA-N
XLogP-0.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Timonacic
CID 9934
L-Thioproline
CID 93176
(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
Thiazolidine-4-carboxylic acid, sodium salt
CID 23686667
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
Timonacic, (S)-
CID 198253
2-Methylthiazolidine-4-carboxylic acid
CID 160736
(R)-1,3-Thiazolidin-3-ium-4-carboxylate
CID 6973609
4-Thiazolidinecarboxylic acid, methyl ester
CID 93329
ethyl (4R)-2-oxo-1,3-thiazolidine-4-carboxylate
CID 477571
Methyl thiazolidine-4-carboxylate hydrochloride
CID 170893
Methyl thiazolidine-2-carboxylate hydrochloride
CID 2737506

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-1,3-thiazolidine-4-carboxylate (CID 845039) is methyl (4S)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-1,3-thiazolidine-4-carboxylate is COC(=O)[C@H]1CSCN1.
What is the InChIKey of methyl (4S)-1,3-thiazolidine-4-carboxylate?
The InChIKey is NHBNAVLHRAPNKY-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of methyl (4S)-1,3-thiazolidine-4-carboxylate?
methyl (4S)-1,3-thiazolidine-4-carboxylate has a molecular weight of 147.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 845039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).