2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide

C14H11N5OS2 — CID 24631051

IUPAC2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
SMILESCc1nc(C)c(C#N)c(SCC(=O)Nc2sccc2C#N)n1
InChIInChI=1S/C14H11N5OS2/c1-8-11(6-16)14(18-9(2)17-8)22-7-12(20)19-13-10(5-15)3-4-21-13/h3-4H,7H2,1-2H3,(H,19,20)
InChIKeyOHBTWKOFBBYSCH-UHFFFAOYSA-N
MW329.41 g/mol
LogP2.63
Rot. Bonds4

About 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide

2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 24631051) has the molecular formula C14H11N5OS2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID24631051
Molecular FormulaC14H11N5OS2
Molecular Weight329.41 g/mol
Exact Mass329.04
IUPAC Name2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
SMILESCc1nc(C)c(C#N)c(SCC(=O)Nc2sccc2C#N)n1
InChIInChI=1S/C14H11N5OS2/c1-8-11(6-16)14(18-9(2)17-8)22-7-12(20)19-13-10(5-15)3-4-21-13/h3-4H,7H2,1-2H3,(H,19,20)
InChIKeyOHBTWKOFBBYSCH-UHFFFAOYSA-N
XLogP2.63
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227919
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 33227575
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 33227721
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24630975
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 24631039
N-benzyl-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227808
N-(3-cyanothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42119297
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 33227599
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 38467006
ethyl 2-[[2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CID 24631083
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 79147880

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide (CID 24631051) is 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide is Cc1nc(C)c(C#N)c(SCC(=O)Nc2sccc2C#N)n1.
What is the InChIKey of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is OHBTWKOFBBYSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS2/c1-8-11(6-16)14(18-9(2)17-8)22-7-12(20)19-13-10(5-15)3-4-21-13/h3-4H,7H2,1-2H3,(H,19,20).
What are the key properties of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 329.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 24631051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).