2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide

C17H19N3OS2 — CID 551775

IUPAC2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(-c2cccs2)c1C#N
InChIInChI=1S/C17H19N3OS2/c1-4-20(5-2)16(21)11-23-17-14(10-18)13(9-12(3)19-17)15-7-6-8-22-15/h6-9H,4-5,11H2,1-3H3
InChIKeyXNHJDOVNGXRGLM-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.95
Rot. Bonds6

About 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide

2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide (PubChem CID 551775) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
PubChem CID551775
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC Name2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(-c2cccs2)c1C#N
InChIInChI=1S/C17H19N3OS2/c1-4-20(5-2)16(21)11-23-17-14(10-18)13(9-12(3)19-17)15-7-6-8-22-15/h6-9H,4-5,11H2,1-3H3
InChIKeyXNHJDOVNGXRGLM-UHFFFAOYSA-N
XLogP3.95
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide (CID 551775) is 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(C)cc(-c2cccs2)c1C#N.
What is the InChIKey of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is XNHJDOVNGXRGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-4-20(5-2)16(21)11-23-17-14(10-18)13(9-12(3)19-17)15-7-6-8-22-15/h6-9H,4-5,11H2,1-3H3.
What are the key properties of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 345.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 551775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).