N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide

C19H20N4OS — CID 135672885

IUPACN-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2=NN/C(=N/Cc3ccccc3)SC2)cc1
InChIInChI=1S/C19H20N4OS/c1-2-18(24)21-16-10-8-15(9-11-16)17-13-25-19(23-22-17)20-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyFYVFHFAIUIBUAH-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.63
Rot. Bonds5

About N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide

N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide (PubChem CID 135672885) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
PubChem CID135672885
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2=NN/C(=N/Cc3ccccc3)SC2)cc1
InChIInChI=1S/C19H20N4OS/c1-2-18(24)21-16-10-8-15(9-11-16)17-13-25-19(23-22-17)20-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyFYVFHFAIUIBUAH-UHFFFAOYSA-N
XLogP3.63
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135437918
N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135673041
N-[4-[2-(2-nitrophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135672954
N-[4-[2-(2-morpholin-4-ium-4-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135828350
N-[4-[2-[(2S)-1-methoxypropan-2-yl]imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135774929
N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135512181
N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
CID 135437872
N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135454497
N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
CID 135439325
3-methyl-N-[4-[2-(2-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]butanamide
CID 135909014
N-[4-[2-(4-chlorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]-3-methylbutanamide
CID 135672849
N-[4-[2-(3-bromophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]-3-methylbutanamide
CID 135954974

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide (CID 135672885) is N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide is CCC(=O)Nc1ccc(C2=NN/C(=N/Cc3ccccc3)SC2)cc1.
What is the InChIKey of N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide?
The InChIKey is FYVFHFAIUIBUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-2-18(24)21-16-10-8-15(9-11-16)17-13-25-19(23-22-17)20-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide?
N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide has a molecular weight of 352.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide is sourced from PubChem (CID 135672885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).