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

C13H10N2O2S2 — CID 658101

IUPACmethyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate
SMILESCOC(=O)CSc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C13H10N2O2S2/c1-17-12(16)8-19-13-9(7-14)4-5-10(15-13)11-3-2-6-18-11/h2-6H,8H2,1H3
InChIKeyMDESTVZURZNPFN-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.95
Rot. Bonds4

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

methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate (PubChem CID 658101) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate
PubChem CID658101
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Namemethyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate
SMILESCOC(=O)CSc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C13H10N2O2S2/c1-17-12(16)8-19-13-9(7-14)4-5-10(15-13)11-3-2-6-18-11/h2-6H,8H2,1H3
InChIKeyMDESTVZURZNPFN-UHFFFAOYSA-N
XLogP2.95
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 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
isopropyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate
CID 1951125
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
2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid
CID 753550
Ethenyl 2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate
CID 657949
2-{[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
CID 657953
Ethyl 2-(3-cyano-6-(2-thienyl)-2-pyridylthio)propanoate
CID 657985
2-[(3-Methylbenzyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile
CID 691796
2-[3-Cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylacetamide
CID 872830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate (CID 658101) is methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate is COC(=O)CSc1nc(-c2cccs2)ccc1C#N.
What is the InChIKey of methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate?
The InChIKey is MDESTVZURZNPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-17-12(16)8-19-13-9(7-14)4-5-10(15-13)11-3-2-6-18-11/h2-6H,8H2,1H3.
What are the key properties of methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate?
methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate has a molecular weight of 290.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate is sourced from PubChem (CID 658101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).