ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate

C14H10N2O2S2 — CID 657949

IUPACethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate
SMILESC=COC(=O)CSc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C14H10N2O2S2/c1-2-18-13(17)9-20-14-10(8-15)5-6-11(16-14)12-4-3-7-19-12/h2-7H,1,9H2
InChIKeyLGKSSQBWNNFMIQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.46
Rot. Bonds5

About ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate

ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate (PubChem CID 657949) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate.

Molecular Properties

Compound Nameethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate
PubChem CID657949
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Nameethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate
SMILESC=COC(=O)CSc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C14H10N2O2S2/c1-2-18-13(17)9-20-14-10(8-15)5-6-11(16-14)12-4-3-7-19-12/h2-7H,1,9H2
InChIKeyLGKSSQBWNNFMIQ-UHFFFAOYSA-N
XLogP3.46
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate 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

2-{[3-Cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 670417
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
Ethyl 4-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate
CID 1998920
Ethyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridylthio]acetate
CID 1128972
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetic acid
CID 845582
Ethyl 2-(3-cyano-6-(2-thienyl)-2-pyridylthio)propanoate
CID 657985
Methyl 2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate
CID 658101
2-[(3-Methylbenzyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile
CID 691796
[(3-Cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)thio]acetic acid
CID 1266293
Ethyl 2-(3-cyano-6-phenyl-2-pyridylthio)propanoate
CID 3156284
6-Cyclopropyl-2-(methylthio)-4-thien-2-ylnicotinonitrile
CID 3244032
6-Cyclopropyl-2-(ethylsulfanyl)-4-(2-thienyl)-3-pyridyl cyanide
CID 4390626

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate?
The IUPAC name of ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate (CID 657949) is ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate.
What is the SMILES notation for ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate?
The canonical SMILES for ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate is C=COC(=O)CSc1nc(-c2cccs2)ccc1C#N.
What is the InChIKey of ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate?
The InChIKey is LGKSSQBWNNFMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c1-2-18-13(17)9-20-14-10(8-15)5-6-11(16-14)12-4-3-7-19-12/h2-7H,1,9H2.
What are the key properties of ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate?
ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate has a molecular weight of 302.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate is sourced from PubChem (CID 657949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).