(2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C31H34N4O4S — CID 1493487

About (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 1493487) has the molecular formula C31H34N4O4S and a molecular weight of 558.70 g/mol. Its IUPAC name is (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 1493487
• Molecular Formula: C31H34N4O4S
• Molecular Weight: 558.70 g/mol
• Exact Mass: 558.23
• IUPAC Name: (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC
• InChI: InChI=1S/C31H34N4O4S/c1-7-33(8-2)30(37)27-19(4)32-31-35(28(27)23-17-21(38-5)14-15-25(23)39-6)29(36)26(40-31)16-20-18-34(9-3)24-13-11-10-12-22(20)24/h10-18,28H,7-9H2,1-6H3/b26-16-/t28-/m1/s1
• InChIKey: PNVLWNYDDJSGNR-PRLWALMFSA-N
• XLogP: 4.10
• TPSA: 78.06 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.70
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 1493487) is (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC.

What is the InChIKey of (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is PNVLWNYDDJSGNR-PRLWALMFSA-N. The full InChI is InChI=1S/C31H34N4O4S/c1-7-33(8-2)30(37)27-19(4)32-31-35(28(27)23-17-21(38-5)14-15-25(23)39-6)29(36)26(40-31)16-20-18-34(9-3)24-13-11-10-12-22(20)24/h10-18,28H,7-9H2,1-6H3/b26-16-/t28-/m1/s1.

What are the key properties of (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 558.70 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 1493487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).