N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide

C12H16N2O2S — CID 107863284

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C1CSCN1
InChIInChI=1S/C12H16N2O2S/c15-6-10(9-4-2-1-3-5-9)14-12(16)11-7-17-8-13-11/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11?/m0/s1
InChIKeyTUNUDXHCNLTADW-VUWPPUDQSA-N
MW252.34 g/mol
LogP0.50
Rot. Bonds4

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

N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 107863284) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID107863284
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C1CSCN1
InChIInChI=1S/C12H16N2O2S/c15-6-10(9-4-2-1-3-5-9)14-12(16)11-7-17-8-13-11/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11?/m0/s1
InChIKeyTUNUDXHCNLTADW-VUWPPUDQSA-N
XLogP0.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 102046659
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 114010288
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119828799
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
CID 110661652
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide (CID 107863284) is N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide is O=C(N[C@@H](CO)c1ccccc1)C1CSCN1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is TUNUDXHCNLTADW-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-6-10(9-4-2-1-3-5-9)14-12(16)11-7-17-8-13-11/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11?/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 107863284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).