ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate

C15H16N2O2S — CID 106676883

IUPACethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate
SMILESCCOC(=O)C(Sc1ccncc1N)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-2-19-15(18)14(11-6-4-3-5-7-11)20-13-8-9-17-10-12(13)16/h3-10,14H,2,16H2,1H3
InChIKeyBWEGWHRYKNGWIP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.06
Rot. Bonds5

About ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate

ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate (PubChem CID 106676883) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate
PubChem CID106676883
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate
SMILESCCOC(=O)C(Sc1ccncc1N)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-2-19-15(18)14(11-6-4-3-5-7-11)20-13-8-9-17-10-12(13)16/h3-10,14H,2,16H2,1H3
InChIKeyBWEGWHRYKNGWIP-UHFFFAOYSA-N
XLogP3.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
ethyl 2-(4-amino-3-methylphenyl)sulfanyl-2-phenylacetate
CID 106676911
ethyl 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate
CID 106676893
ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
CID 103603359
ethyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetate
CID 103599961
ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate
CID 129370374
ethyl (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
CID 720627
ethyl 2-(1-aminopropan-2-ylsulfanyl)-2-phenylacetate
CID 106676902
ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-2-phenylacetate
CID 113218278
ethyl 2-(3-methylbutan-2-ylsulfanyl)-2-phenylacetate
CID 113244494
ethyl (2R)-2-phenyl-2-(trifluoromethylsulfanyl)acetate
CID 125473024

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate?
The IUPAC name of ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate (CID 106676883) is ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate is CCOC(=O)C(Sc1ccncc1N)c1ccccc1.
What is the InChIKey of ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate?
The InChIKey is BWEGWHRYKNGWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-19-15(18)14(11-6-4-3-5-7-11)20-13-8-9-17-10-12(13)16/h3-10,14H,2,16H2,1H3.
What are the key properties of ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate?
ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate has a molecular weight of 288.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate is sourced from PubChem (CID 106676883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).