tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate

C18H27NO3S — CID 101046745

IUPACtert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)[C@H]1CS[C@@H]([C@H](O)c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO3S/c1-12(2)14-11-23-16(15(20)13-9-7-6-8-10-13)19(14)17(21)22-18(3,4)5/h6-10,12,14-16,20H,11H2,1-5H3/t14-,15-,16+/m1/s1
InChIKeyPVIBSVDZQZMCEM-OAGGEKHMSA-N
MW337.49 g/mol
LogP4.05
Rot. Bonds3

About tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate

tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate (PubChem CID 101046745) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate
PubChem CID101046745
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Nametert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)[C@H]1CS[C@@H]([C@H](O)c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO3S/c1-12(2)14-11-23-16(15(20)13-9-7-6-8-10-13)19(14)17(21)22-18(3,4)5/h6-10,12,14-16,20H,11H2,1-5H3/t14-,15-,16+/m1/s1
InChIKeyPVIBSVDZQZMCEM-OAGGEKHMSA-N
XLogP4.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
tert-butyl (4S)-4-[(S)-(1,2,3,4,5,6-13C6)cyclohexatrienyl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169442028
tert-butyl (2S,5R)-2-[(4-aminophenyl)methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5R)-2-[(4-aminophenyl)methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
CID 159025336
tert-butyl 9-ethyl-7-[(R)-hydroxy(phenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 68850522
tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate
CID 102439306
tert-butyl (1S,5R)-3-(1-phenylethoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11278980
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl (2R,4S)-2-(4-chlorophenyl)-4-[[(1S)-1-phenylethyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 41244220
tert-butyl (2S,4R)-2-(4-chlorophenyl)-4-[[(1S)-1-phenylethyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 25407730
tert-butyl (2R,5S)-2-[(R)-hydroxy(phenyl)methyl]-5-[(4-nitrophenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5R)-2-[(R)-hydroxy(phenyl)methyl]-5-[(4-nitrophenyl)methyl]pyrrolidine-1-carboxylate
CID 159009026
tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
CID 103724645

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate (CID 101046745) is tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate is CC(C)[C@H]1CS[C@@H]([C@H](O)c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate?
The InChIKey is PVIBSVDZQZMCEM-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-12(2)14-11-23-16(15(20)13-9-7-6-8-10-13)19(14)17(21)22-18(3,4)5/h6-10,12,14-16,20H,11H2,1-5H3/t14-,15-,16+/m1/s1.
What are the key properties of tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate?
tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate has a molecular weight of 337.49 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 101046745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).