benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate

C15H18N2O3S2 — CID 6481653

IUPACbenzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESO=C(C1CSCN1C(=O)OCc1ccccc1)N1CCSC1
InChIInChI=1S/C15H18N2O3S2/c18-14(16-6-7-21-10-16)13-9-22-11-17(13)15(19)20-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyARKABCLDYHVJMU-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.23
Rot. Bonds3

About benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate

benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 6481653) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate
PubChem CID6481653
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Namebenzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESO=C(C1CSCN1C(=O)OCc1ccccc1)N1CCSC1
InChIInChI=1S/C15H18N2O3S2/c18-14(16-6-7-21-10-16)13-9-22-11-17(13)15(19)20-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyARKABCLDYHVJMU-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate (CID 6481653) is benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate is O=C(C1CSCN1C(=O)OCc1ccccc1)N1CCSC1.
What is the InChIKey of benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is ARKABCLDYHVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c18-14(16-6-7-21-10-16)13-9-22-11-17(13)15(19)20-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate?
benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 6481653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).