6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C24H23N5O3S2 — CID 135971012

About 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135971012) has the molecular formula C24H23N5O3S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 135971012
• Molecular Formula: C24H23N5O3S2
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.12
• IUPAC Name: 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CCCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C24H23N5O3S2/c1-3-10-29(14-21-27-28-24(32-21)18-5-4-11-33-18)13-20-25-17-12-19(34-22(17)23(30)26-20)15-6-8-16(31-2)9-7-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,25,26,30)
• InChIKey: FLDJFEDQGXUWQI-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 97.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135971012) is 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CCCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)Cc1nnc(-c2cccs2)o1.

What is the InChIKey of 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is FLDJFEDQGXUWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S2/c1-3-10-29(14-21-27-28-24(32-21)18-5-4-11-33-18)13-20-25-17-12-19(34-22(17)23(30)26-20)15-6-8-16(31-2)9-7-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,25,26,30).

What are the key properties of 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?

6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 493.61 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxyphenyl)-2-[[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135971012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).