2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide

C14H16N4OS2 — CID 5395188

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C\c2sccc2C)n1
InChIInChI=1S/C14H16N4OS2/c1-9-4-5-20-12(9)7-15-18-13(19)8-21-14-16-10(2)6-11(3)17-14/h4-7H,8H2,1-3H3,(H,18,19)/b15-7-
InChIKeyACCYXZRLZXXUDX-CHHVJCJISA-N
MW320.44 g/mol
LogP2.71
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 5395188) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID5395188
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C\c2sccc2C)n1
InChIInChI=1S/C14H16N4OS2/c1-9-4-5-20-12(9)7-15-18-13(19)8-21-14-16-10(2)6-11(3)17-14/h4-7H,8H2,1-3H3,(H,18,19)/b15-7-
InChIKeyACCYXZRLZXXUDX-CHHVJCJISA-N
XLogP2.71
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 5395188) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide is Cc1cc(C)nc(SCC(=O)N/N=C\c2sccc2C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is ACCYXZRLZXXUDX-CHHVJCJISA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-9-4-5-20-12(9)7-15-18-13(19)8-21-14-16-10(2)6-11(3)17-14/h4-7H,8H2,1-3H3,(H,18,19)/b15-7-.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5395188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).