2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid

C19H14N2O2S2 — CID 5120722

IUPAC2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
SMILESCC(Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)C(=O)O
InChIInChI=1S/C19H14N2O2S2/c1-12(19(22)23)25-18-15(11-20)14(13-6-3-2-4-7-13)10-16(21-18)17-8-5-9-24-17/h2-10,12H,1H3,(H,22,23)
InChIKeyLJONEXQVXKPANV-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.91
Rot. Bonds5

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

2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid (PubChem CID 5120722) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
PubChem CID5120722
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
SMILESCC(Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)C(=O)O
InChIInChI=1S/C19H14N2O2S2/c1-12(19(22)23)25-18-15(11-20)14(13-6-3-2-4-7-13)10-16(21-18)17-8-5-9-24-17/h2-10,12H,1H3,(H,22,23)
InChIKeyLJONEXQVXKPANV-UHFFFAOYSA-N
XLogP4.91
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid 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
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037
2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide
CID 123877346
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide
CID 23744241
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 24500982
propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 5120735
2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 681158
ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
(2S)-2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]propanamide
CID 99129925

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid?
The IUPAC name of 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid (CID 5120722) is 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid?
The canonical SMILES for 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid is CC(Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)C(=O)O.
What is the InChIKey of 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid?
The InChIKey is LJONEXQVXKPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c1-12(19(22)23)25-18-15(11-20)14(13-6-3-2-4-7-13)10-16(21-18)17-8-5-9-24-17/h2-10,12H,1H3,(H,22,23).
What are the key properties of 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid?
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid has a molecular weight of 366.47 g/mol, XLogP of 4.91, 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-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid is sourced from PubChem (CID 5120722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).