N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine

C28H19FN4OS — CID 73442324

IUPACN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2cc(CNc3nc(-c4ccccc4)nc4scc(-c5ccccc5)c34)on2)cc1
InChIInChI=1S/C28H19FN4OS/c29-21-13-11-19(12-14-21)24-15-22(34-33-24)16-30-27-25-23(18-7-3-1-4-8-18)17-35-28(25)32-26(31-27)20-9-5-2-6-10-20/h1-15,17H,16H2,(H,30,31,32)
InChIKeyLRIHCNGGSUJTFB-UHFFFAOYSA-N
MW478.55 g/mol
LogP7.43
Rot. Bonds6

About N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine

N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 73442324) has the molecular formula C28H19FN4OS and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID73442324
Molecular FormulaC28H19FN4OS
Molecular Weight478.55 g/mol
Exact Mass478.13
IUPAC NameN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2cc(CNc3nc(-c4ccccc4)nc4scc(-c5ccccc5)c34)on2)cc1
InChIInChI=1S/C28H19FN4OS/c29-21-13-11-19(12-14-21)24-15-22(34-33-24)16-30-27-25-23(18-7-3-1-4-8-18)17-35-28(25)32-26(31-27)20-9-5-2-6-10-20/h1-15,17H,16H2,(H,30,31,32)
InChIKeyLRIHCNGGSUJTFB-UHFFFAOYSA-N
XLogP7.43
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-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 N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine (CID 73442324) is N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine is Fc1ccc(-c2cc(CNc3nc(-c4ccccc4)nc4scc(-c5ccccc5)c34)on2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LRIHCNGGSUJTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4OS/c29-21-13-11-19(12-14-21)24-15-22(34-33-24)16-30-27-25-23(18-7-3-1-4-8-18)17-35-28(25)32-26(31-27)20-9-5-2-6-10-20/h1-15,17H,16H2,(H,30,31,32).
What are the key properties of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine?
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 478.55 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,5-diphenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 73442324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).