3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

C28H30FN3O2S — CID 3432560

About 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3432560) has the molecular formula C28H30FN3O2S and a molecular weight of 491.63 g/mol. Its IUPAC name is 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
• PubChem CID: 3432560
• Molecular Formula: C28H30FN3O2S
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.20
• IUPAC Name: 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
• SMILES: CC(C)(C)c1ccc(C(=O)N2C(C(=O)NCCc3ccccn3)CSC2c2cccc(F)c2)cc1
• InChI: InChI=1S/C28H30FN3O2S/c1-28(2,3)21-12-10-19(11-13-21)26(34)32-24(18-35-27(32)20-7-6-8-22(29)17-20)25(33)31-16-14-23-9-4-5-15-30-23/h4-13,15,17,24,27H,14,16,18H2,1-3H3,(H,31,33)
• InChIKey: QUCRIPDXYJIDHE-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?

The IUPAC name of 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 3432560) is 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)N2C(C(=O)NCCc3ccccn3)CSC2c2cccc(F)c2)cc1.

What is the InChIKey of 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?

The InChIKey is QUCRIPDXYJIDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2S/c1-28(2,3)21-12-10-19(11-13-21)26(34)32-24(18-35-27(32)20-7-6-8-22(29)17-20)25(33)31-16-14-23-9-4-5-15-30-23/h4-13,15,17,24,27H,14,16,18H2,1-3H3,(H,31,33).

What are the key properties of 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?

3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 491.63 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3432560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).