2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine

C20H14FN7OS — CID 68642178

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1nccs1
InChIInChI=1S/C20H14FN7OS/c21-14-4-2-1-3-12(14)11-28-17(15-5-7-29-27-15)9-16(26-28)19-24-10-13(18(22)25-19)20-23-6-8-30-20/h1-10H,11H2,(H2,22,24,25)
InChIKeyULXDNXZCLZSDBA-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.89
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 68642178) has the molecular formula C20H14FN7OS and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID68642178
Molecular FormulaC20H14FN7OS
Molecular Weight419.45 g/mol
Exact Mass419.10
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1nccs1
InChIInChI=1S/C20H14FN7OS/c21-14-4-2-1-3-12(14)11-28-17(15-5-7-29-27-15)9-16(26-28)19-24-10-13(18(22)25-19)20-23-6-8-30-20/h1-10H,11H2,(H2,22,24,25)
InChIKeyULXDNXZCLZSDBA-UHFFFAOYSA-N
XLogP3.89
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 68642178) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine is Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1nccs1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is ULXDNXZCLZSDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7OS/c21-14-4-2-1-3-12(14)11-28-17(15-5-7-29-27-15)9-16(26-28)19-24-10-13(18(22)25-19)20-23-6-8-30-20/h1-10H,11H2,(H2,22,24,25).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 419.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 68642178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).