3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide

C24H29N3O3S2 — CID 146731293

About 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide

3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide (PubChem CID 146731293) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide
• PubChem CID: 146731293
• Molecular Formula: C24H29N3O3S2
• Molecular Weight: 471.65 g/mol
• Exact Mass: 471.17
• IUPAC Name: 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide
• SMILES: COc1cc(CC(=O)Cc2nc(-c3sc(C)nc3C)cs2)cc(C(=O)NC(C)C(C)C)c1
• InChI: InChI=1S/C24H29N3O3S2/c1-13(2)14(3)26-24(29)18-7-17(9-20(10-18)30-6)8-19(28)11-22-27-21(12-31-22)23-15(4)25-16(5)32-23/h7,9-10,12-14H,8,11H2,1-6H3,(H,26,29)
• InChIKey: RHYABSXHWOVDBW-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.65
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide?

The IUPAC name of 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide (CID 146731293) is 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide.

What is the SMILES notation for 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide?

The canonical SMILES for 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide is COc1cc(CC(=O)Cc2nc(-c3sc(C)nc3C)cs2)cc(C(=O)NC(C)C(C)C)c1.

What is the InChIKey of 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide?

The InChIKey is RHYABSXHWOVDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-13(2)14(3)26-24(29)18-7-17(9-20(10-18)30-6)8-19(28)11-22-27-21(12-31-22)23-15(4)25-16(5)32-23/h7,9-10,12-14H,8,11H2,1-6H3,(H,26,29).

What are the key properties of 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide?

3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 471.65 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-5-methoxy-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 146731293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).