4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine

C24H20FN7OS2 — CID 143556210

About 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine

4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 143556210) has the molecular formula C24H20FN7OS2 and a molecular weight of 505.60 g/mol. Its IUPAC name is 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine
• PubChem CID: 143556210
• Molecular Formula: C24H20FN7OS2
• Molecular Weight: 505.60 g/mol
• Exact Mass: 505.12
• IUPAC Name: 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine
• SMILES: Cc1cc(Sc2cnc(Nc3nc(/C=C/N)cs3)c(Oc3ccc(F)cc3)c2)n2nc(C)cc2n1
• InChI: InChI=1S/C24H20FN7OS2/c1-14-10-22(32-21(28-14)9-15(2)31-32)35-19-11-20(33-18-5-3-16(25)4-6-18)23(27-12-19)30-24-29-17(7-8-26)13-34-24/h3-13H,26H2,1-2H3,(H,27,29,30)/b8-7+
• InChIKey: NQGWIAINVICZGN-BQYQJAHWSA-N
• XLogP: 5.95
• TPSA: 103.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.60
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine?

The IUPAC name of 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine (CID 143556210) is 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine is Cc1cc(Sc2cnc(Nc3nc(/C=C/N)cs3)c(Oc3ccc(F)cc3)c2)n2nc(C)cc2n1.

What is the InChIKey of 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine?

The InChIKey is NQGWIAINVICZGN-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H20FN7OS2/c1-14-10-22(32-21(28-14)9-15(2)31-32)35-19-11-20(33-18-5-3-16(25)4-6-18)23(27-12-19)30-24-29-17(7-8-26)13-34-24/h3-13H,26H2,1-2H3,(H,27,29,30)/b8-7+.

What are the key properties of 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine?

4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 505.60 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-aminoethenyl]-N-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-(4-fluorophenoxy)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 143556210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).