(4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C23H29N3O2S2 — CID 50831160

About (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 50831160) has the molecular formula C23H29N3O2S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
• PubChem CID: 50831160
• Molecular Formula: C23H29N3O2S2
• Molecular Weight: 443.64 g/mol
• Exact Mass: 443.17
• IUPAC Name: (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
• SMILES: O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CSCN1C(=O)CCC1CCCC1
• InChI: InChI=1S/C23H29N3O2S2/c27-21(11-10-17-6-4-5-7-17)26-16-29-15-20(26)22(28)24-13-12-19-14-30-23(25-19)18-8-2-1-3-9-18/h1-3,8-9,14,17,20H,4-7,10-13,15-16H2,(H,24,28)/t20-/m1/s1
• InChIKey: FPFLIWTUYCCNBF-HXUWFJFHSA-N
• XLogP: 4.34
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.64
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?

The IUPAC name of (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 50831160) is (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CSCN1C(=O)CCC1CCCC1.

What is the InChIKey of (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?

The InChIKey is FPFLIWTUYCCNBF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O2S2/c27-21(11-10-17-6-4-5-7-17)26-16-29-15-20(26)22(28)24-13-12-19-14-30-23(25-19)18-8-2-1-3-9-18/h1-3,8-9,14,17,20H,4-7,10-13,15-16H2,(H,24,28)/t20-/m1/s1.

What are the key properties of (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?

(4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 443.64 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 50831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).