6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C20H13N3O2S2 — CID 17451791

IUPAC6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccccc3)cc2ncn1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C20H13N3O2S2/c24-20-18-15(9-17(27-18)13-5-2-1-3-6-13)21-12-23(20)10-14-11-25-19(22-14)16-7-4-8-26-16/h1-9,11-12H,10H2
InChIKeyDGFCRSYEUVVFCY-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.89
Rot. Bonds4

About 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one

6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 17451791) has the molecular formula C20H13N3O2S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID17451791
Molecular FormulaC20H13N3O2S2
Molecular Weight391.48 g/mol
Exact Mass391.04
IUPAC Name6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccccc3)cc2ncn1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C20H13N3O2S2/c24-20-18-15(9-17(27-18)13-5-2-1-3-6-13)21-12-23(20)10-14-11-25-19(22-14)16-7-4-8-26-16/h1-9,11-12H,10H2
InChIKeyDGFCRSYEUVVFCY-UHFFFAOYSA-N
XLogP4.89
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 17451791) is 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sc(-c3ccccc3)cc2ncn1Cc1coc(-c2cccs2)n1.
What is the InChIKey of 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is DGFCRSYEUVVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2S2/c24-20-18-15(9-17(27-18)13-5-2-1-3-6-13)21-12-23(20)10-14-11-25-19(22-14)16-7-4-8-26-16/h1-9,11-12H,10H2.
What are the key properties of 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 391.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 17451791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).