ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C30H29N3O4S — CID 5286954

About ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 5286954) has the molecular formula C30H29N3O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 5286954
• Molecular Formula: C30H29N3O4S
• Molecular Weight: 527.65 g/mol
• Exact Mass: 527.19
• IUPAC Name: ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2C1c1ccc(N(C)C)cc1
• InChI: InChI=1S/C30H29N3O4S/c1-6-37-29(35)26-18(2)31-30-33(27(26)20-11-14-21(15-12-20)32(3)4)28(34)25(38-30)17-23-22-10-8-7-9-19(22)13-16-24(23)36-5/h7-17,27H,6H2,1-5H3/b25-17-
• InChIKey: YCIXZTDVQLEWRV-UQQQWYQISA-N
• XLogP: 4.03
• TPSA: 73.13 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.65
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 5286954) is ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2C1c1ccc(N(C)C)cc1.

What is the InChIKey of ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is YCIXZTDVQLEWRV-UQQQWYQISA-N. The full InChI is InChI=1S/C30H29N3O4S/c1-6-37-29(35)26-18(2)31-30-33(27(26)20-11-14-21(15-12-20)32(3)4)28(34)25(38-30)17-23-22-10-8-7-9-19(22)13-16-24(23)36-5/h7-17,27H,6H2,1-5H3/b25-17-.

What are the key properties of ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 527.65 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5286954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).