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

C17H16N4OS — CID 135512181

IUPACN-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN/C(=N/c3ccccc3)SC2)cc1
InChIInChI=1S/C17H16N4OS/c1-12(22)18-15-9-7-13(8-10-15)16-11-23-17(21-20-16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyLTESMICVEPBGCT-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.37
Rot. Bonds3

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

N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide (PubChem CID 135512181) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
PubChem CID135512181
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN/C(=N/c3ccccc3)SC2)cc1
InChIInChI=1S/C17H16N4OS/c1-12(22)18-15-9-7-13(8-10-15)16-11-23-17(21-20-16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyLTESMICVEPBGCT-UHFFFAOYSA-N
XLogP3.37
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_L(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide (CID 135512181) is N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=NN/C(=N/c3ccccc3)SC2)cc1.
What is the InChIKey of N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide?
The InChIKey is LTESMICVEPBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-12(22)18-15-9-7-13(8-10-15)16-11-23-17(21-20-16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide?
N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide is sourced from PubChem (CID 135512181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).