1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide

C24H24N4O4S — CID 134082093

About 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide

1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide (PubChem CID 134082093) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
• PubChem CID: 134082093
• Molecular Formula: C24H24N4O4S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.15
• IUPAC Name: 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
• SMILES: COc1cc(Cn2c(-c3csc(-c4ccc(OC)nc4)n3)cc(C(N)=O)c2C)cc(OC)c1
• InChI: InChI=1S/C24H24N4O4S/c1-14-19(23(25)29)10-21(28(14)12-15-7-17(30-2)9-18(8-15)31-3)20-13-33-24(27-20)16-5-6-22(32-4)26-11-16/h5-11,13H,12H2,1-4H3,(H2,25,29)
• InChIKey: JOZLCOCIULVKGH-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide?

The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide (CID 134082093) is 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide.

What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide?

The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide is COc1cc(Cn2c(-c3csc(-c4ccc(OC)nc4)n3)cc(C(N)=O)c2C)cc(OC)c1.

What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide?

The InChIKey is JOZLCOCIULVKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-14-19(23(25)29)10-21(28(14)12-15-7-17(30-2)9-18(8-15)31-3)20-13-33-24(27-20)16-5-6-22(32-4)26-11-16/h5-11,13H,12H2,1-4H3,(H2,25,29).

What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide?

1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 134082093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).