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

C23H16N6S — CID 45099943

IUPAC5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)s2)cc1
InChIInChI=1S/C23H16N6S/c1-3-9-16(10-4-1)19-15-25-23(30-19)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)
InChIKeySVTMGRFIKSFAMB-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.47
Rot. Bonds5

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

5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine (PubChem CID 45099943) has the molecular formula C23H16N6S and a molecular weight of 408.49 g/mol. Its IUPAC name is 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine
PubChem CID45099943
Molecular FormulaC23H16N6S
Molecular Weight408.49 g/mol
Exact Mass408.12
IUPAC Name5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)s2)cc1
InChIInChI=1S/C23H16N6S/c1-3-9-16(10-4-1)19-15-25-23(30-19)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)
InChIKeySVTMGRFIKSFAMB-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 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine (CID 45099943) is 5-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 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine is c1ccc(-c2cnc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)s2)cc1.
What is the InChIKey of 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine?
The InChIKey is SVTMGRFIKSFAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6S/c1-3-9-16(10-4-1)19-15-25-23(30-19)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 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine?
5-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 5-phenyl-N-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 45099943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).