benzyl 1,3-thiazolidine-3-carboxylate

C11H13NO2S — CID 139958620

IUPACbenzyl 1,3-thiazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1CCSC1
InChIInChI=1S/C11H13NO2S/c13-11(12-6-7-15-9-12)14-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyRPOGUMQMPLYEKS-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.33
Rot. Bonds2

About benzyl 1,3-thiazolidine-3-carboxylate

benzyl 1,3-thiazolidine-3-carboxylate (PubChem CID 139958620) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is benzyl 1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 1,3-thiazolidine-3-carboxylate
PubChem CID139958620
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Namebenzyl 1,3-thiazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1CCSC1
InChIInChI=1S/C11H13NO2S/c13-11(12-6-7-15-9-12)14-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyRPOGUMQMPLYEKS-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl aziridine-1-carboxylate;silane
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benzyl 4,5-dihydroxyazepane-1-carboxylate
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benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166
benzyl 4-(2-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 23077829
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate
CID 174934341
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710

Frequently Asked Questions

What is the IUPAC name of benzyl 1,3-thiazolidine-3-carboxylate?
The IUPAC name of benzyl 1,3-thiazolidine-3-carboxylate (CID 139958620) is benzyl 1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for benzyl 1,3-thiazolidine-3-carboxylate?
The canonical SMILES for benzyl 1,3-thiazolidine-3-carboxylate is O=C(OCc1ccccc1)N1CCSC1.
What is the InChIKey of benzyl 1,3-thiazolidine-3-carboxylate?
The InChIKey is RPOGUMQMPLYEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(12-6-7-15-9-12)14-8-10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of benzyl 1,3-thiazolidine-3-carboxylate?
benzyl 1,3-thiazolidine-3-carboxylate has a molecular weight of 223.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 139958620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).