5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

C24H24N8S — CID 88591385

IUPAC5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(/C=C/c3ccccc3)nc(N3CCN(c4ccncc4)CC3)n2)s1
InChIInChI=1S/C24H24N8S/c1-18-17-26-24(33-18)30-22-27-21(8-7-19-5-3-2-4-6-19)28-23(29-22)32-15-13-31(14-16-32)20-9-11-25-12-10-20/h2-12,17H,13-16H2,1H3,(H,26,27,28,29,30)/b8-7+
InChIKeyAGIZYJBMTUYWLQ-BQYQJAHWSA-N
MW456.58 g/mol
LogP4.27
Rot. Bonds6

About 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 88591385) has the molecular formula C24H24N8S and a molecular weight of 456.58 g/mol. Its IUPAC name is 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
PubChem CID88591385
Molecular FormulaC24H24N8S
Molecular Weight456.58 g/mol
Exact Mass456.18
IUPAC Name5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(/C=C/c3ccccc3)nc(N3CCN(c4ccncc4)CC3)n2)s1
InChIInChI=1S/C24H24N8S/c1-18-17-26-24(33-18)30-22-27-21(8-7-19-5-3-2-4-6-19)28-23(29-22)32-15-13-31(14-16-32)20-9-11-25-12-10-20/h2-12,17H,13-16H2,1H3,(H,26,27,28,29,30)/b8-7+
InChIKeyAGIZYJBMTUYWLQ-BQYQJAHWSA-N
XLogP4.27
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (CID 88591385) is 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is Cc1cnc(Nc2nc(/C=C/c3ccccc3)nc(N3CCN(c4ccncc4)CC3)n2)s1.
What is the InChIKey of 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is AGIZYJBMTUYWLQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H24N8S/c1-18-17-26-24(33-18)30-22-27-21(8-7-19-5-3-2-4-6-19)28-23(29-22)32-15-13-31(14-16-32)20-9-11-25-12-10-20/h2-12,17H,13-16H2,1H3,(H,26,27,28,29,30)/b8-7+.
What are the key properties of 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 456.58 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88591385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).