6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C23H24N2O3S — CID 4692736

IUPAC6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCCCC1SC2=NC(C)=C(C(C)=O)C(c3c(OC)ccc4ccccc34)N2C1=O
InChIInChI=1S/C23H24N2O3S/c1-5-8-18-22(27)25-21(19(14(3)26)13(2)24-23(25)29-18)20-16-10-7-6-9-15(16)11-12-17(20)28-4/h6-7,9-12,18,21H,5,8H2,1-4H3
InChIKeyUEYJWYRYBYSBQX-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.87
Rot. Bonds5

About 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 4692736) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID4692736
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCCCC1SC2=NC(C)=C(C(C)=O)C(c3c(OC)ccc4ccccc34)N2C1=O
InChIInChI=1S/C23H24N2O3S/c1-5-8-18-22(27)25-21(19(14(3)26)13(2)24-23(25)29-18)20-16-10-7-6-9-15(16)11-12-17(20)28-4/h6-7,9-12,18,21H,5,8H2,1-4H3
InChIKeyUEYJWYRYBYSBQX-UHFFFAOYSA-N
XLogP4.87
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 4692736) is 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is CCCC1SC2=NC(C)=C(C(C)=O)C(c3c(OC)ccc4ccccc34)N2C1=O.
What is the InChIKey of 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is UEYJWYRYBYSBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-5-8-18-22(27)25-21(19(14(3)26)13(2)24-23(25)29-18)20-16-10-7-6-9-15(16)11-12-17(20)28-4/h6-7,9-12,18,21H,5,8H2,1-4H3.
What are the key properties of 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 408.52 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 4692736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).