2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H14N4O2S — CID 2672364

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C14H14N4O2S/c1-8-4-9(2)16-14(11(8)6-15)21-7-13(19)17-12-5-10(3)20-18-12/h4-5H,7H2,1-3H3,(H,17,18,19)
InChIKeyJLHUOHDSUUJORF-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.60
Rot. Bonds4

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2672364) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2672364
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C14H14N4O2S/c1-8-4-9(2)16-14(11(8)6-15)21-7-13(19)17-12-5-10(3)20-18-12/h4-5H,7H2,1-3H3,(H,17,18,19)
InChIKeyJLHUOHDSUUJORF-UHFFFAOYSA-N
XLogP2.60
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2672364) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc(C)on2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JLHUOHDSUUJORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8-4-9(2)16-14(11(8)6-15)21-7-13(19)17-12-5-10(3)20-18-12/h4-5H,7H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 302.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2672364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).