N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide

C21H18N4O2S — CID 135437872

IUPACN-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2=NN/C(=N/Cc3ccco3)SC2)cc1)c1ccccc1
InChIInChI=1S/C21H18N4O2S/c26-20(16-5-2-1-3-6-16)23-17-10-8-15(9-11-17)19-14-28-21(25-24-19)22-13-18-7-4-12-27-18/h1-12H,13-14H2,(H,22,25)(H,23,26)
InChIKeyJYZQUYSVCPJJFO-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.13
Rot. Bonds5

About N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide

N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide (PubChem CID 135437872) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
PubChem CID135437872
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2=NN/C(=N/Cc3ccco3)SC2)cc1)c1ccccc1
InChIInChI=1S/C21H18N4O2S/c26-20(16-5-2-1-3-6-16)23-17-10-8-15(9-11-17)19-14-28-21(25-24-19)22-13-18-7-4-12-27-18/h1-12H,13-14H2,(H,22,25)(H,23,26)
InChIKeyJYZQUYSVCPJJFO-UHFFFAOYSA-N
XLogP4.13
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135672885
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylimino]-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
CID 135840296
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135549208
N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
CID 135439325
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
N-[4-(2-benzylimino-3-methyl-6H-1,3,4-thiadiazin-5-yl)phenyl]benzamide
CID 24512155
N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
CID 139243358
N-[4-[2-(2-morpholin-4-ium-4-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135828350
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
3-methyl-N-[4-[2-(2-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]butanamide
CID 135909014
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
5-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135673038

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide (CID 135437872) is N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide is O=C(Nc1ccc(C2=NN/C(=N/Cc3ccco3)SC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide?
The InChIKey is JYZQUYSVCPJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-20(16-5-2-1-3-6-16)23-17-10-8-15(9-11-17)19-14-28-21(25-24-19)22-13-18-7-4-12-27-18/h1-12H,13-14H2,(H,22,25)(H,23,26).
What are the key properties of N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide?
N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide is sourced from PubChem (CID 135437872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).