ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate

C13H15NO2S2 — CID 129370374

IUPACethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate
SMILESCCOC(=O)[C@H](SC1=NCCS1)c1ccccc1
InChIInChI=1S/C13H15NO2S2/c1-2-16-12(15)11(10-6-4-3-5-7-10)18-13-14-8-9-17-13/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyRADYWDXLNYRDPO-LLVKDONJSA-N
MW281.40 g/mol
LogP3.13
Rot. Bonds4

About ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate

ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate (PubChem CID 129370374) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate
PubChem CID129370374
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Nameethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate
SMILESCCOC(=O)[C@H](SC1=NCCS1)c1ccccc1
InChIInChI=1S/C13H15NO2S2/c1-2-16-12(15)11(10-6-4-3-5-7-10)18-13-14-8-9-17-13/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyRADYWDXLNYRDPO-LLVKDONJSA-N
XLogP3.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
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ethyl 2-(3-methylbutan-2-ylsulfanyl)-2-phenylacetate
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ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
ethyl 2-[2-(dimethylamino)ethylsulfanyl]-2-phenylacetate
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ethyl 2-(diethylcarbamoylsulfanyl)-2-phenylacetate
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ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate
CID 106676883
ethyl (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
CID 720627
ethyl N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]carbamate
CID 3823164
ethyl 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate
CID 106676893
ethyl 2-(1-aminopropan-2-ylsulfanyl)-2-phenylacetate
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ethyl (2R)-2-phenyl-2-(trifluoromethylsulfanyl)acetate
CID 125473024

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate (CID 129370374) is ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate is CCOC(=O)[C@H](SC1=NCCS1)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate?
The InChIKey is RADYWDXLNYRDPO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-2-16-12(15)11(10-6-4-3-5-7-10)18-13-14-8-9-17-13/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate?
ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate has a molecular weight of 281.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate is sourced from PubChem (CID 129370374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).