3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C21H15N3O2S — CID 38873758

IUPAC3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C21H15N3O2S/c25-21-20-19(16-8-4-5-9-17(16)26-20)22-13-24(21)11-15-12-27-18(23-15)10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2
InChIKeyYBKIGCWVDGZPON-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.24
Rot. Bonds4

About 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 38873758) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID38873758
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C21H15N3O2S/c25-21-20-19(16-8-4-5-9-17(16)26-20)22-13-24(21)11-15-12-27-18(23-15)10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2
InChIKeyYBKIGCWVDGZPON-UHFFFAOYSA-N
XLogP4.24
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 38873758) is 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1c2oc3ccccc3c2ncn1Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is YBKIGCWVDGZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-21-20-19(16-8-4-5-9-17(16)26-20)22-13-24(21)11-15-12-27-18(23-15)10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2.
What are the key properties of 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 373.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 38873758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).