(2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C30H24N4O4S — CID 126124746

About (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126124746) has the molecular formula C30H24N4O4S and a molecular weight of 536.61 g/mol. Its IUPAC name is (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 126124746
• Molecular Formula: C30H24N4O4S
• Molecular Weight: 536.61 g/mol
• Exact Mass: 536.15
• IUPAC Name: (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n32)c1
• InChI: InChI=1S/C30H24N4O4S/c1-17-23(27(35)32-19-11-5-4-6-12-19)25(18-10-9-13-20(16-18)38-3)34-29(37)26(39-30(34)31-17)24-21-14-7-8-15-22(21)33(2)28(24)36/h4-16,25H,1-3H3,(H,32,35)/b26-24-/t25-/m1/s1
• InChIKey: ZRUBENWNIMQZMJ-ZCCPQQFYSA-N
• XLogP: 3.23
• TPSA: 93.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126124746) is (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n32)c1.

What is the InChIKey of (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is ZRUBENWNIMQZMJ-ZCCPQQFYSA-N. The full InChI is InChI=1S/C30H24N4O4S/c1-17-23(27(35)32-19-11-5-4-6-12-19)25(18-10-9-13-20(16-18)38-3)34-29(37)26(39-30(34)31-17)24-21-14-7-8-15-22(21)33(2)28(24)36/h4-16,25H,1-3H3,(H,32,35)/b26-24-/t25-/m1/s1.

What are the key properties of (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 536.61 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5R)-5-(3-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126124746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).