ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate

C15H14N2O2S2 — CID 690947

IUPACethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate
SMILESCCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C15H14N2O2S2/c1-3-19-15(18)10(2)21-14-11(9-16)6-7-12(17-14)13-5-4-8-20-13/h4-8,10H,3H2,1-2H3/t10-/m1/s1
InChIKeyXDPNYRKNALIZHU-SNVBAGLBSA-N
MW318.42 g/mol
LogP3.73
Rot. Bonds5

About ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate

ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate (PubChem CID 690947) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate
PubChem CID690947
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Nameethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate
SMILESCCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C15H14N2O2S2/c1-3-19-15(18)10(2)21-14-11(9-16)6-7-12(17-14)13-5-4-8-20-13/h4-8,10H,3H2,1-2H3/t10-/m1/s1
InChIKeyXDPNYRKNALIZHU-SNVBAGLBSA-N
XLogP3.73
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]propanoate
CID 3960465
ethyl (2S)-2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoate
CID 1041786
ethyl (2R)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate
CID 1282692
2-(methylamino)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 62197120
ethyl 2-[[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 23249049
2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 4013372
2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53269793
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 5120722
ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
(2S)-2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 753316
2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
CID 94281991

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate?
The IUPAC name of ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate (CID 690947) is ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate?
The canonical SMILES for ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate is CCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)ccc1C#N.
What is the InChIKey of ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate?
The InChIKey is XDPNYRKNALIZHU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-3-19-15(18)10(2)21-14-11(9-16)6-7-12(17-14)13-5-4-8-20-13/h4-8,10H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate?
ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate has a molecular weight of 318.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate is sourced from PubChem (CID 690947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).