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

C16H20N2O4S — CID 6481458

IUPACbenzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESO=C(C1CSCN1C(=O)OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C16H20N2O4S/c19-15(17-6-8-21-9-7-17)14-11-23-12-18(14)16(20)22-10-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyUWACKUSRNCFECL-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.56
Rot. Bonds3

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

benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 6481458) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
PubChem CID6481458
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Namebenzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESO=C(C1CSCN1C(=O)OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C16H20N2O4S/c19-15(17-6-8-21-9-7-17)14-11-23-12-18(14)16(20)22-10-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyUWACKUSRNCFECL-UHFFFAOYSA-N
XLogP1.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-benzyl 2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 15051769
[2-[[2-(4-Benzyloxycarbonylpiperazin-1-yl)-2-oxo-ethyl]amino]-2-oxo-ethyl]-dimethylsulfonium bromide (1a)
CID 73774920
Benzyl 4-(4-formylthiazolidine-3-carbonyl)thiazolidine-3-carboxylate
CID 6481655
(S)-Benzyl 2-(((S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carboxylate
CID 3008180
2-(4-Dimethoxymethyl-thiazolidine-3-carbonyl)-pyrrolidine-1-carboxylic acid benzyl ester
CID 44458564
Z-thioPro-thiazolidine
CID 122624
(4R,5S)-3-[3-(1,3-dithian-2-ylidene)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10089183
4-(4-Dimethoxymethyl-thiazolidine-3-carbonyl)-thiazolidine-3-carboxylic acid benzyl ester
CID 9801791
Benzyl 2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 6481460
Benzyl 4-(thiazolidine-3-carbonyl)thiazolidine-3-carboxylate
CID 6481653
benzyl (2S,5R,6R)-6-[carbonofluoridoyl(trifluoromethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 146167404
benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10992327

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate (CID 6481458) is benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate is O=C(C1CSCN1C(=O)OCc1ccccc1)N1CCOCC1.
What is the InChIKey of benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is UWACKUSRNCFECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-15(17-6-8-21-9-7-17)14-11-23-12-18(14)16(20)22-10-13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate?
benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 6481458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).