2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide

C24H23N3O3S — CID 91149221

About 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide

2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide (PubChem CID 91149221) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
• PubChem CID: 91149221
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
• SMILES: Cc1csc(-c2ccc(-n3cc(O)c(C(=O)Nc4ccccc4C(C)C)c3O)cc2)n1
• InChI: InChI=1S/C24H23N3O3S/c1-14(2)18-6-4-5-7-19(18)26-22(29)21-20(28)12-27(24(21)30)17-10-8-16(9-11-17)23-25-15(3)13-31-23/h4-14,28,30H,1-3H3,(H,26,29)
• InChIKey: JEMSPPZJMPRCCH-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 87.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?

The IUPAC name of 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide (CID 91149221) is 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide.

What is the SMILES notation for 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?

The canonical SMILES for 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide is Cc1csc(-c2ccc(-n3cc(O)c(C(=O)Nc4ccccc4C(C)C)c3O)cc2)n1.

What is the InChIKey of 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?

The InChIKey is JEMSPPZJMPRCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-14(2)18-6-4-5-7-19(18)26-22(29)21-20(28)12-27(24(21)30)17-10-8-16(9-11-17)23-25-15(3)13-31-23/h4-14,28,30H,1-3H3,(H,26,29).

What are the key properties of 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?

2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 91149221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).