4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide

C19H18N4O2S — CID 6906478

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESCc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccco3)cc2)n1
InChIInChI=1S/C19H18N4O2S/c1-13-10-14(2)22-19(21-13)26-12-15-5-7-16(8-6-15)18(24)23-20-11-17-4-3-9-25-17/h3-11H,12H2,1-2H3,(H,23,24)/b20-11+
InChIKeyOPIROVBATLFXMB-RGVLZGJSSA-N
MW366.45 g/mol
LogP3.74
Rot. Bonds6

About 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide

4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide (PubChem CID 6906478) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide
PubChem CID6906478
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESCc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccco3)cc2)n1
InChIInChI=1S/C19H18N4O2S/c1-13-10-14(2)22-19(21-13)26-12-15-5-7-16(8-6-15)18(24)23-20-11-17-4-3-9-25-17/h3-11H,12H2,1-2H3,(H,23,24)/b20-11+
InChIKeyOPIROVBATLFXMB-RGVLZGJSSA-N
XLogP3.74
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.74
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'}

Analyze 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide 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 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide (CID 6906478) is 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide is Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccco3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The InChIKey is OPIROVBATLFXMB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-10-14(2)22-19(21-13)26-12-15-5-7-16(8-6-15)18(24)23-20-11-17-4-3-9-25-17/h3-11H,12H2,1-2H3,(H,23,24)/b20-11+.
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide has a molecular weight of 366.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6906478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).