3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C26H22N4O2S2 — CID 24596789

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 24596789) has the molecular formula C26H22N4O2S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 24596789
• Molecular Formula: C26H22N4O2S2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.12
• IUPAC Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
• SMILES: O=C(CCn1cnc2sccc2c1=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C26H22N4O2S2/c31-23(12-14-29-18-27-24-21(25(29)32)13-16-33-24)30(15-11-19-7-3-1-4-8-19)26-28-22(17-34-26)20-9-5-2-6-10-20/h1-10,13,16-18H,11-12,14-15H2
• InChIKey: VJVOPHNZWRWLSM-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 68.09 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 24596789) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCn1cnc2sccc2c1=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1.

What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?

The InChIKey is VJVOPHNZWRWLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S2/c31-23(12-14-29-18-27-24-21(25(29)32)13-16-33-24)30(15-11-19-7-3-1-4-8-19)26-28-22(17-34-26)20-9-5-2-6-10-20/h1-10,13,16-18H,11-12,14-15H2.

What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 486.62 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24596789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).