5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine

C23H20N2OS — CID 3347681

IUPAC5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine
SMILESCOc1ccc(C2=C(C)SC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-17-22(18-13-15-21(26-2)16-14-18)25(20-11-7-4-8-12-20)24-23(27-17)19-9-5-3-6-10-19/h3-16H,1-2H3
InChIKeyPRVIJULTGCGMFU-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.00
Rot. Bonds4

About 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine

5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine (PubChem CID 3347681) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine
PubChem CID3347681
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine
SMILESCOc1ccc(C2=C(C)SC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-17-22(18-13-15-21(26-2)16-14-18)25(20-11-7-4-8-12-20)24-23(27-17)19-9-5-3-6-10-19/h3-16H,1-2H3
InChIKeyPRVIJULTGCGMFU-UHFFFAOYSA-N
XLogP6.00
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine 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

methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine
CID 14930639
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
5-imino-6-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 1007087
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
2-methoxy-6-phenylnaphthalene
CID 11253308
4,4-dibromo-2-(4-methoxyphenyl)-5-phenylpyrazol-3-one
CID 102048330

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine?
The IUPAC name of 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine (CID 3347681) is 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine?
The canonical SMILES for 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine is COc1ccc(C2=C(C)SC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine?
The InChIKey is PRVIJULTGCGMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-17-22(18-13-15-21(26-2)16-14-18)25(20-11-7-4-8-12-20)24-23(27-17)19-9-5-3-6-10-19/h3-16H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine?
5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine has a molecular weight of 372.49 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine is sourced from PubChem (CID 3347681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).