tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate

C14H18FNO3S — CID 138973185

IUPACtert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](O)CS[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3S/c1-14(2,3)19-13(18)16-11(17)8-20-12(16)9-4-6-10(15)7-5-9/h4-7,11-12,17H,8H2,1-3H3/t11-,12-/m1/s1
InChIKeySUCCKEZAKYSNEF-VXGBXAGGSA-N
MW299.37 g/mol
LogP3.13
Rot. Bonds1

About tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate

tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate (PubChem CID 138973185) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate
PubChem CID138973185
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Nametert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](O)CS[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3S/c1-14(2,3)19-13(18)16-11(17)8-20-12(16)9-4-6-10(15)7-5-9/h4-7,11-12,17H,8H2,1-3H3/t11-,12-/m1/s1
InChIKeySUCCKEZAKYSNEF-VXGBXAGGSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazolidine-3-carboxylate
CID 3064945
(4R)-N-Boc-2-phenylthiazolidine-4-carboxylic acid
CID 45481671
Ethyl 2-(2-(4-fluorophenyl)-4-oxothiazolidin-3-yl)acetate
CID 23764243
3-(tert-Butoxycarbonyl)-2-phenylthiazolidine-4-carboxylic acid
CID 3064942
3-(Tert-butoxycarbonyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 10244829
2-(4-Fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 3160440
3-[(Tert-butyl)oxycarbonyl]-2-(2-fluorophenyl)-1,3-thiazolidine-4-carboxylic a cid
CID 3160442
3-(2-Hydroxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolan-4-one
CID 3481484
3-(2-Hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3693294
2-(3-Fluorophenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 24711921
2-(2,4-Difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 24711933
2-(2,4-Difluorophenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 24712042

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate (CID 138973185) is tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](O)CS[C@@H]1c1ccc(F)cc1.
What is the InChIKey of tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate?
The InChIKey is SUCCKEZAKYSNEF-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-14(2,3)19-13(18)16-11(17)8-20-12(16)9-4-6-10(15)7-5-9/h4-7,11-12,17H,8H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate?
tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 138973185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).