2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide

C16H18N4OS2 — CID 5081435

IUPAC2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide
SMILESCSc1cc(C)nc(SCC(=O)NN=Cc2ccc(C)cc2)n1
InChIInChI=1S/C16H18N4OS2/c1-11-4-6-13(7-5-11)9-17-20-14(21)10-23-16-18-12(2)8-15(19-16)22-3/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyHTNGXGFSIRRRFS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide

2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide (PubChem CID 5081435) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide
PubChem CID5081435
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide
SMILESCSc1cc(C)nc(SCC(=O)NN=Cc2ccc(C)cc2)n1
InChIInChI=1S/C16H18N4OS2/c1-11-4-6-13(7-5-11)9-17-20-14(21)10-23-16-18-12(2)8-15(19-16)22-3/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyHTNGXGFSIRRRFS-UHFFFAOYSA-N
XLogP3.06
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 5437380
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51432860
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866780
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126250893
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 137122737
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6029033
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5433368
N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide
CID 6180869
N-[(4-bromophenyl)methylideneamino]-2-(2,6-dimethylquinolin-4-yl)sulfanylacetamide
CID 3141494
4-[(Z)-[[2-(2,6-dimethylquinolin-4-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 5433692
N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
CID 4684327

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide (CID 5081435) is 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide is CSc1cc(C)nc(SCC(=O)NN=Cc2ccc(C)cc2)n1.
What is the InChIKey of 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is HTNGXGFSIRRRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-11-4-6-13(7-5-11)9-17-20-14(21)10-23-16-18-12(2)8-15(19-16)22-3/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide?
2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 346.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5081435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).