N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide

C13H18N2OS — CID 139762199

IUPACN-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide
SMILESC[C@@H](NC(=O)C[C@H]1CSCN1)c1ccccc1
InChIInChI=1S/C13H18N2OS/c1-10(11-5-3-2-4-6-11)15-13(16)7-12-8-17-9-14-12/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyJVXMTLILXRARHP-PWSUYJOCSA-N
MW250.37 g/mol
LogP1.92
Rot. Bonds4

About N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide

N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide (PubChem CID 139762199) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide
PubChem CID139762199
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide
SMILESC[C@@H](NC(=O)C[C@H]1CSCN1)c1ccccc1
InChIInChI=1S/C13H18N2OS/c1-10(11-5-3-2-4-6-11)15-13(16)7-12-8-17-9-14-12/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyJVXMTLILXRARHP-PWSUYJOCSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide
CID 54794720
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride
CID 110282432
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide (CID 139762199) is N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide is C[C@@H](NC(=O)C[C@H]1CSCN1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide?
The InChIKey is JVXMTLILXRARHP-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10(11-5-3-2-4-6-11)15-13(16)7-12-8-17-9-14-12/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)/t10-,12+/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide?
N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide has a molecular weight of 250.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide is sourced from PubChem (CID 139762199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).