(2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate

C15H17FNO4S- — CID 6966236

IUPAC(2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CS[C@@H]1c1ccccc1F
InChIInChI=1S/C15H18FNO4S/c1-15(2,3)21-14(20)17-11(13(18)19)8-22-12(17)9-6-4-5-7-10(9)16/h4-7,11-12H,8H2,1-3H3,(H,18,19)/p-1/t11-,12-/m1/s1
InChIKeyLPIQXNQRPVWEMO-VXGBXAGGSA-M
MW326.37 g/mol
LogP1.93
Rot. Bonds2

About (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate

(2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 6966236) has the molecular formula C15H17FNO4S- and a molecular weight of 326.37 g/mol. Its IUPAC name is (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name(2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate
PubChem CID6966236
Molecular FormulaC15H17FNO4S-
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CS[C@@H]1c1ccccc1F
InChIInChI=1S/C15H18FNO4S/c1-15(2,3)21-14(20)17-11(13(18)19)8-22-12(17)9-6-4-5-7-10(9)16/h4-7,11-12H,8H2,1-3H3,(H,18,19)/p-1/t11-,12-/m1/s1
InChIKeyLPIQXNQRPVWEMO-VXGBXAGGSA-M
XLogP1.93
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-2-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 1096432
(2R,4R)-2-(2-fluorophenyl)-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 67713244
2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 4562858
2-[3-[[(2R)-1-[(2R,4R)-2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid
CID 67713191
tert-butyl (2R,4R)-2-(2-fluorophenyl)-3-[2-[[3-(2-hydroxyethyl)phenyl]carbamoylamino]acetyl]-1,3-thiazolidine-4-carboxylate
CID 54073077
(2R,4S)-2-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 1096419
tert-butyl (4S,5R)-4,5-bis(2-fluorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylate
CID 141106246
(2S,4S)-2-(3,5-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 42611097
tert-butyl (3S)-3-amino-4-(2-fluorophenyl)pyrrolidine-1-carboxylate
CID 67135442
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
(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 7044376

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate (CID 6966236) is (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CS[C@@H]1c1ccccc1F.
What is the InChIKey of (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is LPIQXNQRPVWEMO-VXGBXAGGSA-M. The full InChI is InChI=1S/C15H18FNO4S/c1-15(2,3)21-14(20)17-11(13(18)19)8-22-12(17)9-6-4-5-7-10(9)16/h4-7,11-12H,8H2,1-3H3,(H,18,19)/p-1/t11-,12-/m1/s1.
What are the key properties of (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate?
(2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 6966236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).