(2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C35H34N4O4S — CID 126099878

About (2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126099878) has the molecular formula C35H34N4O4S and a molecular weight of 606.75 g/mol. Its IUPAC name is (2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)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-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 126099878
• Molecular Formula: C35H34N4O4S
• Molecular Weight: 606.75 g/mol
• Exact Mass: 606.23
• IUPAC Name: (2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-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/c3c(-c4ccccc4)[nH]c4c(OC)cccc34)c(=O)n2[C@@H]1c1ccccc1OC
• InChI: InChI=1S/C35H34N4O4S/c1-6-38(7-2)34(41)29-21(3)36-35-39(32(29)24-16-11-12-18-26(24)42-4)33(40)28(44-35)20-25-23-17-13-19-27(43-5)31(23)37-30(25)22-14-9-8-10-15-22/h8-20,32,37H,6-7H2,1-5H3/b28-20+/t32-/m1/s1
• InChIKey: AAGAOUWGPINJOI-VKHARKSUSA-N
• XLogP: 5.27
• TPSA: 88.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.75
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)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-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126099878) is (2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)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-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)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-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-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/c3c(-c4ccccc4)[nH]c4c(OC)cccc34)c(=O)n2[C@@H]1c1ccccc1OC.

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

The InChIKey is AAGAOUWGPINJOI-VKHARKSUSA-N. The full InChI is InChI=1S/C35H34N4O4S/c1-6-38(7-2)34(41)29-21(3)36-35-39(32(29)24-16-11-12-18-26(24)42-4)33(40)28(44-35)20-25-23-17-13-19-27(43-5)31(23)37-30(25)22-14-9-8-10-15-22/h8-20,32,37H,6-7H2,1-5H3/b28-20+/t32-/m1/s1.

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

(2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 606.75 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5R)-N,N-diethyl-5-(2-methoxyphenyl)-2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126099878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).