5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole

C16H11N3OS2 — CID 2565061

IUPAC5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole
SMILESc1ccc(-c2cnc(CSc3ncnc4sccc34)o2)cc1
InChIInChI=1S/C16H11N3OS2/c1-2-4-11(5-3-1)13-8-17-14(20-13)9-22-16-12-6-7-21-15(12)18-10-19-16/h1-8,10H,9H2
InChIKeyIAAOEYCSJTZNIK-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.64
Rot. Bonds4

About 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole

5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 2565061) has the molecular formula C16H11N3OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole
PubChem CID2565061
Molecular FormulaC16H11N3OS2
Molecular Weight325.42 g/mol
Exact Mass325.03
IUPAC Name5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole
SMILESc1ccc(-c2cnc(CSc3ncnc4sccc34)o2)cc1
InChIInChI=1S/C16H11N3OS2/c1-2-4-11(5-3-1)13-8-17-14(20-13)9-22-16-12-6-7-21-15(12)18-10-19-16/h1-8,10H,9H2
InChIKeyIAAOEYCSJTZNIK-UHFFFAOYSA-N
XLogP4.64
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole (CID 2565061) is 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole is c1ccc(-c2cnc(CSc3ncnc4sccc34)o2)cc1.
What is the InChIKey of 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is IAAOEYCSJTZNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS2/c1-2-4-11(5-3-1)13-8-17-14(20-13)9-22-16-12-6-7-21-15(12)18-10-19-16/h1-8,10H,9H2.
What are the key properties of 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole?
5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 325.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 2565061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).