6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C16H12N4OS — CID 45275821

IUPAC6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cnco2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C16H12N4OS/c17-14-12-7-11(6-10-4-2-1-3-5-10)22-16(12)20-15(19-14)13-8-18-9-21-13/h1-5,7-9H,6H2,(H2,17,19,20)
InChIKeyGQQVMWJRFKUPHG-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.52
Rot. Bonds3

About 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275821) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275821
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cnco2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C16H12N4OS/c17-14-12-7-11(6-10-4-2-1-3-5-10)22-16(12)20-15(19-14)13-8-18-9-21-13/h1-5,7-9H,6H2,(H2,17,19,20)
InChIKeyGQQVMWJRFKUPHG-UHFFFAOYSA-N
XLogP3.52
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45275821) is 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cnco2)nc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GQQVMWJRFKUPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c17-14-12-7-11(6-10-4-2-1-3-5-10)22-16(12)20-15(19-14)13-8-18-9-21-13/h1-5,7-9H,6H2,(H2,17,19,20).
What are the key properties of 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 308.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(1,3-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).