(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide

C13H18N2O2S — CID 102046659

IUPAC(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CSCN1
InChIInChI=1S/C13H18N2O2S/c16-7-11(6-10-4-2-1-3-5-10)15-13(17)12-8-18-9-14-12/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t11-,12-/m0/s1
InChIKeyVWSHGMIAENZESY-RYUDHWBXSA-N
MW266.37 g/mol
LogP0.37
Rot. Bonds5

About (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 102046659) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID102046659
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CSCN1
InChIInChI=1S/C13H18N2O2S/c16-7-11(6-10-4-2-1-3-5-10)15-13(17)12-8-18-9-14-12/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t11-,12-/m0/s1
InChIKeyVWSHGMIAENZESY-RYUDHWBXSA-N
XLogP0.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]morpholine-3-carboxamide
CID 107861025
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 107863083
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 102046659) is (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CSCN1.
What is the InChIKey of (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VWSHGMIAENZESY-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-7-11(6-10-4-2-1-3-5-10)15-13(17)12-8-18-9-14-12/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 102046659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).