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

C18H10FN2O2S2- — CID 6984680

IUPAC2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
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)/p-1
InChIKeyLQCVNFADRMEHDE-UHFFFAOYSA-M
MW369.42 g/mol
LogP3.33
Rot. Bonds5

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

2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate (PubChem CID 6984680) has the molecular formula C18H10FN2O2S2- and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate.

Molecular Properties

Compound Name2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
PubChem CID6984680
Molecular FormulaC18H10FN2O2S2-
Molecular Weight369.42 g/mol
Exact Mass369.02
IUPAC Name2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
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)/p-1
InChIKeyLQCVNFADRMEHDE-UHFFFAOYSA-M
XLogP3.33
TPSA76.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
ethyl 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]propanoate
CID 3960465
propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 5120735
2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 10969383
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 1010503
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1002420
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 5120722
2-benzylsulfanyl-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 4022523
(2R)-1-[2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetyl]pyrrolidine-2-carboxylate
CID 9497188
4-(4-tert-butylphenyl)-6-thiophen-2-yl-2-(thiophen-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 3820214
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate?
The IUPAC name of 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate (CID 6984680) is 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate.
What is the SMILES notation for 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate?
The canonical SMILES for 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate 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]acetate?
The InChIKey is LQCVNFADRMEHDE-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate?
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate has a molecular weight of 369.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]acetate is sourced from PubChem (CID 6984680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).