(2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide

C24H29FN2O2S — CID 1062794

About (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide

(2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 1062794) has the molecular formula C24H29FN2O2S and a molecular weight of 428.57 g/mol. Its IUPAC name is (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
• PubChem CID: 1062794
• Molecular Formula: C24H29FN2O2S
• Molecular Weight: 428.57 g/mol
• Exact Mass: 428.19
• IUPAC Name: (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
• SMILES: CC(C)NC(=O)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C24H29FN2O2S/c1-15(2)26-21(28)20-14-30-23(17-7-6-8-19(25)13-17)27(20)22(29)16-9-11-18(12-10-16)24(3,4)5/h6-13,15,20,23H,14H2,1-5H3,(H,26,28)/t20-,23-/m1/s1
• InChIKey: CRVPDOKFXYJFBP-NFBKMPQASA-N
• XLogP: 4.90
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.57
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?

The IUPAC name of (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 1062794) is (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is CC(C)NC(=O)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccc(C(C)(C)C)cc1.

What is the InChIKey of (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?

The InChIKey is CRVPDOKFXYJFBP-NFBKMPQASA-N. The full InChI is InChI=1S/C24H29FN2O2S/c1-15(2)26-21(28)20-14-30-23(17-7-6-8-19(25)13-17)27(20)22(29)16-9-11-18(12-10-16)24(3,4)5/h6-13,15,20,23H,14H2,1-5H3,(H,26,28)/t20-,23-/m1/s1.

What are the key properties of (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?

(2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 428.57 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 1062794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).