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

C27H22N2O4S — CID 5348047

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

(2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 5348047) has the molecular formula C27H22N2O4S and a molecular weight of 470.55 g/mol. Its IUPAC name is (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

• Compound Name: (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
• PubChem CID: 5348047
• Molecular Formula: C27H22N2O4S
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.13
• IUPAC Name: (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
• SMILES: COc1ccc2ccccc2c1C1C(C(C)=O)=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n21
• InChI: InChI=1S/C27H22N2O4S/c1-15-23(16(2)30)25(24-20-10-5-4-8-18(20)11-12-21(24)33-3)29-26(32)22(34-27(29)28-15)14-17-7-6-9-19(31)13-17/h4-14,25,31H,1-3H3/b22-14-
• InChIKey: XCPRMXDOFKHCJC-HMAPJEAMSA-N
• XLogP: 3.69
• TPSA: 80.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The IUPAC name of (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 5348047) is (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

What is the SMILES notation for (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The canonical SMILES for (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is COc1ccc2ccccc2c1C1C(C(C)=O)=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n21.

What is the InChIKey of (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The InChIKey is XCPRMXDOFKHCJC-HMAPJEAMSA-N. The full InChI is InChI=1S/C27H22N2O4S/c1-15-23(16(2)30)25(24-20-10-5-4-8-18(20)11-12-21(24)33-3)29-26(32)22(34-27(29)28-15)14-17-7-6-9-19(31)13-17/h4-14,25,31H,1-3H3/b22-14-.

What are the key properties of (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

(2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 470.55 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-6-acetyl-2-[(3-hydroxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 5348047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).