6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione

C20H15N5S — CID 102194730

IUPAC6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione
SMILESS=c1nc(-c2cccnc2)nc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C20H15N5S/c26-20-24-18(15-8-7-13-21-14-15)23-19(22-16-9-3-1-4-10-16)25(20)17-11-5-2-6-12-17/h1-14H,(H,22,23,24,26)
InChIKeyZYCLFUZYZAHNNL-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.80
Rot. Bonds4

About 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione

6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione (PubChem CID 102194730) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione.

Molecular Properties

Compound Name6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione
PubChem CID102194730
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione
SMILESS=c1nc(-c2cccnc2)nc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C20H15N5S/c26-20-24-18(15-8-7-13-21-14-15)23-19(22-16-9-3-1-4-10-16)25(20)17-11-5-2-6-12-17/h1-14H,(H,22,23,24,26)
InChIKeyZYCLFUZYZAHNNL-UHFFFAOYSA-N
XLogP4.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
CID 134860589
N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
CID 155813034
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
5-anilino-2-methyl-4-phenyl-1,2,4-triazole-3-thione
CID 14472445
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 163719640
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
9-phenyl-2-pyridin-3-ylpurine
CID 67147959
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982

Frequently Asked Questions

What is the IUPAC name of 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione?
The IUPAC name of 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione (CID 102194730) is 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione.
What is the SMILES notation for 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione?
The canonical SMILES for 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione is S=c1nc(-c2cccnc2)nc(Nc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione?
The InChIKey is ZYCLFUZYZAHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c26-20-24-18(15-8-7-13-21-14-15)23-19(22-16-9-3-1-4-10-16)25(20)17-11-5-2-6-12-17/h1-14H,(H,22,23,24,26).
What are the key properties of 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione?
6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione has a molecular weight of 357.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione is sourced from PubChem (CID 102194730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).