2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C17H18N4OS — CID 6861951

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C/C=C/c2ccccc2)n1
InChIInChI=1S/C17H18N4OS/c1-13-11-14(2)20-17(19-13)23-12-16(22)21-18-10-6-9-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,21,22)/b9-6+,18-10+
InChIKeyVPZMWWQUWBBGKL-XICJKMHVSA-N
MW326.43 g/mol
LogP3.00
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6861951) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6861951
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C/C=C/c2ccccc2)n1
InChIInChI=1S/C17H18N4OS/c1-13-11-14(2)20-17(19-13)23-12-16(22)21-18-10-6-9-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,21,22)/b9-6+,18-10+
InChIKeyVPZMWWQUWBBGKL-XICJKMHVSA-N
XLogP3.00
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 6861951) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is Cc1cc(C)nc(SCC(=O)N/N=C/C=C/c2ccccc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is VPZMWWQUWBBGKL-XICJKMHVSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13-11-14(2)20-17(19-13)23-12-16(22)21-18-10-6-9-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,21,22)/b9-6+,18-10+.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6861951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).