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

C16H20N2O4S — CID 14556728

IUPACbenzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESO=C([C@@H]1CSCN1C(=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/t14-/m0/s1
InChIKeyUWACKUSRNCFECL-AWEZNQCLSA-N
MW336.41 g/mol
LogP1.56
Rot. Bonds3

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

benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 14556728) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
PubChem CID14556728
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Namebenzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESO=C([C@@H]1CSCN1C(=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/t14-/m0/s1
InChIKeyUWACKUSRNCFECL-AWEZNQCLSA-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

benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556727
benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556723
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
benzyl (3R)-3-ethynylmorpholine-4-carboxylate
CID 88963201
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
benzyl (6R,7R)-6,7-dihydroxy-1,4-oxazocane-4-carboxylate
CID 122547436
benzyl 3-(2-bromoacetyl)morpholine-4-carboxylate
CID 104701369
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 93481134
benzyl 1,3-thiazolidine-3-carboxylate
CID 139958620
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate (CID 14556728) is benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate is O=C([C@@H]1CSCN1C(=O)OCc1ccccc1)N1CCOCC1.
What is the InChIKey of benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is UWACKUSRNCFECL-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate?
benzyl (4R)-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 (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 14556728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).