N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

C23H24N2O5S2 — CID 55601562

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (PubChem CID 55601562) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.

Molecular Properties

• Compound Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
• PubChem CID: 55601562
• Molecular Formula: C23H24N2O5S2
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.11
• IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
• SMILES: COc1ccc(-c2csc(NC(=O)CCC(=O)CCC(=O)c3ccc(C)s3)n2)cc1OC
• InChI: InChI=1S/C23H24N2O5S2/c1-14-4-10-21(32-14)18(27)8-6-16(26)7-11-22(28)25-23-24-17(13-31-23)15-5-9-19(29-2)20(12-15)30-3/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,24,25,28)
• InChIKey: UXZBVUVQLUAKBS-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 94.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?

The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (CID 55601562) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.

What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?

The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is COc1ccc(-c2csc(NC(=O)CCC(=O)CCC(=O)c3ccc(C)s3)n2)cc1OC.

What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?

The InChIKey is UXZBVUVQLUAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-14-4-10-21(32-14)18(27)8-6-16(26)7-11-22(28)25-23-24-17(13-31-23)15-5-9-19(29-2)20(12-15)30-3/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,24,25,28).

What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide has a molecular weight of 472.59 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is sourced from PubChem (CID 55601562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).