4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine

C21H17N3S — CID 14930639

IUPAC4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine
SMILESCc1ccc(N2N=C(c3ccccc3)SC(c3ccccc3)=N2)cc1
InChIInChI=1S/C21H17N3S/c1-16-12-14-19(15-13-16)24-22-20(17-8-4-2-5-9-17)25-21(23-24)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyLAMKQPNCCZUEIQ-UHFFFAOYSA-N
MW343.46 g/mol
LogP5.27
Rot. Bonds3

About 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine

4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine (PubChem CID 14930639) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine
PubChem CID14930639
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC Name4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine
SMILESCc1ccc(N2N=C(c3ccccc3)SC(c3ccccc3)=N2)cc1
InChIInChI=1S/C21H17N3S/c1-16-12-14-19(15-13-16)24-22-20(17-8-4-2-5-9-17)25-21(23-24)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyLAMKQPNCCZUEIQ-UHFFFAOYSA-N
XLogP5.27
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-6-methyl-2,4-diphenyl-1,3,4-thiadiazine
CID 3347681
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1,1'-biphenyl;toluene
CID 18366440
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride
CID 171375722
benzene;bis(1,4-xylene)
CID 159472747

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine?
The IUPAC name of 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine (CID 14930639) is 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine.
What is the SMILES notation for 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine?
The canonical SMILES for 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine is Cc1ccc(N2N=C(c3ccccc3)SC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine?
The InChIKey is LAMKQPNCCZUEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3S/c1-16-12-14-19(15-13-16)24-22-20(17-8-4-2-5-9-17)25-21(23-24)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine?
4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine has a molecular weight of 343.46 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine is sourced from PubChem (CID 14930639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).