4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine

C23H16N6S — CID 45099945

IUPAC4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H16N6S/c1-3-9-16(10-4-1)19-15-30-23(25-19)27-22-20(17-11-5-2-6-12-17)28-29-21(26-22)18-13-7-8-14-24-18/h1-15H,(H,25,26,27,29)
InChIKeySFLIDSZKPUWPJR-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.47
Rot. Bonds5

About 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine

4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine (PubChem CID 45099945) has the molecular formula C23H16N6S and a molecular weight of 408.49 g/mol. Its IUPAC name is 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine
PubChem CID45099945
Molecular FormulaC23H16N6S
Molecular Weight408.49 g/mol
Exact Mass408.12
IUPAC Name4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H16N6S/c1-3-9-16(10-4-1)19-15-30-23(25-19)27-22-20(17-11-5-2-6-12-17)28-29-21(26-22)18-13-7-8-14-24-18/h1-15H,(H,25,26,27,29)
InChIKeySFLIDSZKPUWPJR-UHFFFAOYSA-N
XLogP5.47
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
N-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
CID 704452
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
N-(5-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 1092462
N-(4-methylphenyl)-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 2408495
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
N-benzyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404644
3-[2-(Pyrazin-2-ylamino)-5-[1,2,4]triazol-1-yl-thiazol-4-yl]-benzonitrile
CID 9924325
6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766171
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
3-((5-((1,2,4)Triazolo(1,5-a)pyridin-6-yl)-4-(6-methylpyridin-2-yl)thiazol-2-ylamino)methyl)benzonitrile
CID 70682755

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine (CID 45099945) is 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)n2)cc1.
What is the InChIKey of 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine?
The InChIKey is SFLIDSZKPUWPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6S/c1-3-9-16(10-4-1)19-15-30-23(25-19)27-22-20(17-11-5-2-6-12-17)28-29-21(26-22)18-13-7-8-14-24-18/h1-15H,(H,25,26,27,29).
What are the key properties of 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine?
4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine has a molecular weight of 408.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 45099945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).