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

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

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Related Compounds

3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 46691435
3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 38966908
(2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 24648893
N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38966923
N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38966939
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 43058473
methyl 5-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate
CID 71920876
3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide
CID 51126583
2-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]phenyl]benzonitrile
CID 43042621
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26736638
3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 33342432
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 17423737

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).