N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide

C24H22N4OS — CID 24512155

IUPACN-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide
SMILESCN1N=C(c2ccc(NC(=O)c3ccccc3)cc2)CS/C1=N\Cc1ccccc1
InChIInChI=1S/C24H22N4OS/c1-28-24(25-16-18-8-4-2-5-9-18)30-17-22(27-28)19-12-14-21(15-13-19)26-23(29)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,29)/b25-24-
InChIKeyFUKDWSYFYXRPRV-IZHYLOQSSA-N
MW414.53 g/mol
LogP4.88
Rot. Bonds5

About N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide

N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide (PubChem CID 24512155) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide
PubChem CID24512155
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC NameN-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide
SMILESCN1N=C(c2ccc(NC(=O)c3ccccc3)cc2)CS/C1=N\Cc1ccccc1
InChIInChI=1S/C24H22N4OS/c1-28-24(25-16-18-8-4-2-5-9-18)30-17-22(27-28)19-12-14-21(15-13-19)26-23(29)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,29)/b25-24-
InChIKeyFUKDWSYFYXRPRV-IZHYLOQSSA-N
XLogP4.88
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide?
The IUPAC name of N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide (CID 24512155) is N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide is CN1N=C(c2ccc(NC(=O)c3ccccc3)cc2)CS/C1=N\Cc1ccccc1.
What is the InChIKey of N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide?
The InChIKey is FUKDWSYFYXRPRV-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-28-24(25-16-18-8-4-2-5-9-18)30-17-22(27-28)19-12-14-21(15-13-19)26-23(29)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,29)/b25-24-.
What are the key properties of N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide?
N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide is sourced from PubChem (CID 24512155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).