6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine

C17H10F3N5OS — CID 70843543

IUPAC6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESNc1cc(-c2cnc(-c3ccccc3)o2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C17H10F3N5OS/c18-17(19,20)12-8-27-16(24-12)14-23-10(6-13(21)25-14)11-7-22-15(26-11)9-4-2-1-3-5-9/h1-8H,(H2,21,23,25)
InChIKeyFQOYSJVBLWKLFO-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.52
Rot. Bonds3

About 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine

6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 70843543) has the molecular formula C17H10F3N5OS and a molecular weight of 389.36 g/mol. Its IUPAC name is 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID70843543
Molecular FormulaC17H10F3N5OS
Molecular Weight389.36 g/mol
Exact Mass389.06
IUPAC Name6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESNc1cc(-c2cnc(-c3ccccc3)o2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C17H10F3N5OS/c18-17(19,20)12-8-27-16(24-12)14-23-10(6-13(21)25-14)11-7-22-15(26-11)9-4-2-1-3-5-9/h1-8H,(H2,21,23,25)
InChIKeyFQOYSJVBLWKLFO-UHFFFAOYSA-N
XLogP4.52
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 70843543) is 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is Nc1cc(-c2cnc(-c3ccccc3)o2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is FQOYSJVBLWKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5OS/c18-17(19,20)12-8-27-16(24-12)14-23-10(6-13(21)25-14)11-7-22-15(26-11)9-4-2-1-3-5-9/h1-8H,(H2,21,23,25).
What are the key properties of 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 389.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenyl-1,3-oxazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 70843543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).