benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate

C16H15NO3S2 — CID 139673517

IUPACbenzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CS[C@H](C(=O)c2cccs2)N1
InChIInChI=1S/C16H15NO3S2/c18-14(13-7-4-8-21-13)15-17-12(10-22-15)16(19)20-9-11-5-2-1-3-6-11/h1-8,12,15,17H,9-10H2/t12?,15-/m1/s1
InChIKeyGSHIJOXWFFGFNA-WPZCJLIBSA-N
MW333.43 g/mol
LogP2.71
Rot. Bonds5

About benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate

benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 139673517) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
PubChem CID139673517
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Namebenzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CS[C@H](C(=O)c2cccs2)N1
InChIInChI=1S/C16H15NO3S2/c18-14(13-7-4-8-21-13)15-17-12(10-22-15)16(19)20-9-11-5-2-1-3-6-11/h1-8,12,15,17H,9-10H2/t12?,15-/m1/s1
InChIKeyGSHIJOXWFFGFNA-WPZCJLIBSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-oxo-4-thiophen-2-ylbutanoate
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benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride
CID 70055979
benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate
CID 70387236
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benzyl (2R,6S)-6-methylpiperidine-2-carboxylate
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benzyl 1,3-dioxole-2-carboxylate
CID 91151024
benzyl 1,3-dithiane-2-carboxylate
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benzyl (2S,5R)-5-cyanopyrrolidine-2-carboxylate
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CID 27711279

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate (CID 139673517) is benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate is O=C(OCc1ccccc1)C1CS[C@H](C(=O)c2cccs2)N1.
What is the InChIKey of benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is GSHIJOXWFFGFNA-WPZCJLIBSA-N. The full InChI is InChI=1S/C16H15NO3S2/c18-14(13-7-4-8-21-13)15-17-12(10-22-15)16(19)20-9-11-5-2-1-3-6-11/h1-8,12,15,17H,9-10H2/t12?,15-/m1/s1.
What are the key properties of benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate?
benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 139673517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).