2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid

C18H11FN2O2S2 — CID 1405185

IUPAC2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(=O)O
InChIInChI=1S/C18H11FN2O2S2/c19-12-5-3-11(4-6-12)13-8-15(16-2-1-7-24-16)21-18(14(13)9-20)25-10-17(22)23/h1-8H,10H2,(H,22,23)
InChIKeyLQCVNFADRMEHDE-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.66
Rot. Bonds5

About 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid

2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid (PubChem CID 1405185) has the molecular formula C18H11FN2O2S2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid
PubChem CID1405185
Molecular FormulaC18H11FN2O2S2
Molecular Weight370.43 g/mol
Exact Mass370.02
IUPAC Name2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(=O)O
InChIInChI=1S/C18H11FN2O2S2/c19-12-5-3-11(4-6-12)13-8-15(16-2-1-7-24-16)21-18(14(13)9-20)25-10-17(22)23/h1-8H,10H2,(H,22,23)
InChIKeyLQCVNFADRMEHDE-UHFFFAOYSA-N
XLogP4.66
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid with MolForge

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Related Compounds

2-{[3-Cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 670417
(3-Cyano-6-thiophen-2-yl-4-trifluoromethyl-pyridin-2-ylsulfanyl)-phenyl-acetic acid
CID 3154832
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
2-[3-Cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid
CID 1086251
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
Pyridine-3-carbonitrile, 2-(2-chloro-6-fluorobenzylthio)-6-(2-thienyl)-
CID 632275
Ethyl 4-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate
CID 1998920
6-Cyclopropyl-4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
CID 2308471
2-(4-Cyano-1-phenyl-3-5,6,7,8-tetrahydroisoquinolylthio)acetic acid
CID 946998
Ethyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridylthio]acetate
CID 1128972
2-[(3-Cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acid
CID 3120415
2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid
CID 753550

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid?
The IUPAC name of 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid (CID 1405185) is 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid is N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(=O)O.
What is the InChIKey of 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid?
The InChIKey is LQCVNFADRMEHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S2/c19-12-5-3-11(4-6-12)13-8-15(16-2-1-7-24-16)21-18(14(13)9-20)25-10-17(22)23/h1-8H,10H2,(H,22,23).
What are the key properties of 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid?
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid has a molecular weight of 370.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetic acid is sourced from PubChem (CID 1405185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).