2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C14H12N4O2S2 — CID 972471

IUPAC2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)c1cc(C#N)c(SCC(=O)Nc2nccs2)nc1C
InChIInChI=1S/C14H12N4O2S2/c1-8-11(9(2)19)5-10(6-15)13(17-8)22-7-12(20)18-14-16-3-4-21-14/h3-5H,7H2,1-2H3,(H,16,18,20)
InChIKeyQLBISPJNSJUCIM-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.65
Rot. Bonds5

About 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 972471) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID972471
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC Name2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)c1cc(C#N)c(SCC(=O)Nc2nccs2)nc1C
InChIInChI=1S/C14H12N4O2S2/c1-8-11(9(2)19)5-10(6-15)13(17-8)22-7-12(20)18-14-16-3-4-21-14/h3-5H,7H2,1-2H3,(H,16,18,20)
InChIKeyQLBISPJNSJUCIM-UHFFFAOYSA-N
XLogP2.65
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 972471) is 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is CC(=O)c1cc(C#N)c(SCC(=O)Nc2nccs2)nc1C.
What is the InChIKey of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QLBISPJNSJUCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-8-11(9(2)19)5-10(6-15)13(17-8)22-7-12(20)18-14-16-3-4-21-14/h3-5H,7H2,1-2H3,(H,16,18,20).
What are the key properties of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 972471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).