benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride

C11H14ClNO2S — CID 70055979

IUPACbenzyl 1,3-thiazolidine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1CSCN1
InChIInChI=1S/C11H13NO2S.ClH/c13-11(10-7-15-8-12-10)14-6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChIKeyFPNIIHNHQYOMJC-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.81
Rot. Bonds3

About benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride

benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride (PubChem CID 70055979) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 1,3-thiazolidine-4-carboxylate;hydrochloride
PubChem CID70055979
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Namebenzyl 1,3-thiazolidine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1CSCN1
InChIInChI=1S/C11H13NO2S.ClH/c13-11(10-7-15-8-12-10)14-6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChIKeyFPNIIHNHQYOMJC-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride 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

benzyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 46839500
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
benzyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 123268049
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
dibenzyl thiolane-2,5-dicarboxylate
CID 14993194
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959
benzyl 1,4,5,6-tetrahydropyrimidine-6-carboxylate
CID 146186977
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
benzyl (2S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
CID 22309109
benzyl (2S,4R)-4-(difluoromethoxy)pyrrolidine-2-carboxylate
CID 169198673

Frequently Asked Questions

What is the IUPAC name of benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride?
The IUPAC name of benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride (CID 70055979) is benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride?
The canonical SMILES for benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)C1CSCN1.
What is the InChIKey of benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride?
The InChIKey is FPNIIHNHQYOMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S.ClH/c13-11(10-7-15-8-12-10)14-6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H.
What are the key properties of benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride?
benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride has a molecular weight of 259.76 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 70055979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).