(2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C34H35N3O5S — CID 126112322

About (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126112322) has the molecular formula C34H35N3O5S and a molecular weight of 597.74 g/mol. Its IUPAC name is (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 126112322
• Molecular Formula: C34H35N3O5S
• Molecular Weight: 597.74 g/mol
• Exact Mass: 597.23
• IUPAC Name: (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC
• InChI: InChI=1S/C34H35N3O5S/c1-7-18-42-25-16-14-22(19-27(25)41-6)20-28-32(38)37-31(30-24-13-11-10-12-23(24)15-17-26(30)40-5)29(21(4)35-34(37)43-28)33(39)36(8-2)9-3/h7,10-17,19-20,31H,1,8-9,18H2,2-6H3/b28-20+/t31-/m0/s1
• InChIKey: LYAUEYQFRANUAJ-YOWYGEOISA-N
• XLogP: 4.84
• TPSA: 82.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.74
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126112322) is (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC.

What is the InChIKey of (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is LYAUEYQFRANUAJ-YOWYGEOISA-N. The full InChI is InChI=1S/C34H35N3O5S/c1-7-18-42-25-16-14-22(19-27(25)41-6)20-28-32(38)37-31(30-24-13-11-10-12-23(24)15-17-26(30)40-5)29(21(4)35-34(37)43-28)33(39)36(8-2)9-3/h7,10-17,19-20,31H,1,8-9,18H2,2-6H3/b28-20+/t31-/m0/s1.

What are the key properties of (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 597.74 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126112322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).