(2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C28H22N4O4S — CID 2140391

About (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 2140391) has the molecular formula C28H22N4O4S and a molecular weight of 510.58 g/mol. Its IUPAC name is (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 2140391
• Molecular Formula: C28H22N4O4S
• Molecular Weight: 510.58 g/mol
• Exact Mass: 510.14
• IUPAC Name: (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)n2c(s/c(=C3/C(=O)Nc4ccccc43)c2=O)=N1
• InChI: InChI=1S/C28H22N4O4S/c1-14-8-4-6-10-18(14)30-25(33)21-16(3)29-28-32(23(21)20-13-12-15(2)36-20)27(35)24(37-28)22-17-9-5-7-11-19(17)31-26(22)34/h4-13,23H,1-3H3,(H,30,33)(H,31,34)/b24-22+/t23-/m0/s1
• InChIKey: KDXHJDOXFDRGKR-AYWGPLOBSA-N
• XLogP: 3.41
• TPSA: 105.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.58
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 2140391) is (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)n2c(s/c(=C3/C(=O)Nc4ccccc43)c2=O)=N1.

What is the InChIKey of (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is KDXHJDOXFDRGKR-AYWGPLOBSA-N. The full InChI is InChI=1S/C28H22N4O4S/c1-14-8-4-6-10-18(14)30-25(33)21-16(3)29-28-32(23(21)20-13-12-15(2)36-20)27(35)24(37-28)22-17-9-5-7-11-19(17)31-26(22)34/h4-13,23H,1-3H3,(H,30,33)(H,31,34)/b24-22+/t23-/m0/s1.

What are the key properties of (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 510.58 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5R)-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2140391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).