1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide

C23H25N3O3S — CID 56561278

About 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide

1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 56561278) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 56561278
• Molecular Formula: C23H25N3O3S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.16
• IUPAC Name: 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
• SMILES: CC(C)c1nc(CNC(=O)C2CCCN2C(=O)c2ccc3ccccc3c2O)cs1
• InChI: InChI=1S/C23H25N3O3S/c1-14(2)22-25-16(13-30-22)12-24-21(28)19-8-5-11-26(19)23(29)18-10-9-15-6-3-4-7-17(15)20(18)27/h3-4,6-7,9-10,13-14,19,27H,5,8,11-12H2,1-2H3,(H,24,28)
• InChIKey: DOQXQDHRNAKEAY-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 82.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 56561278) is 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is CC(C)c1nc(CNC(=O)C2CCCN2C(=O)c2ccc3ccccc3c2O)cs1.

What is the InChIKey of 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?

The InChIKey is DOQXQDHRNAKEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-14(2)22-25-16(13-30-22)12-24-21(28)19-8-5-11-26(19)23(29)18-10-9-15-6-3-4-7-17(15)20(18)27/h3-4,6-7,9-10,13-14,19,27H,5,8,11-12H2,1-2H3,(H,24,28).

What are the key properties of 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?

1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56561278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).