3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C12H16N2O3S2 — CID 55236489

About 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55236489) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 55236489
• Molecular Formula: C12H16N2O3S2
• Molecular Weight: 300.41 g/mol
• Exact Mass: 300.06
• IUPAC Name: 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
• SMILES: Cc1ncsc1C(=O)N1C(C(=O)O)CSC1C(C)C
• InChI: InChI=1S/C12H16N2O3S2/c1-6(2)11-14(8(4-18-11)12(16)17)10(15)9-7(3)13-5-19-9/h5-6,8,11H,4H2,1-3H3,(H,16,17)
• InChIKey: SJMLTIRKCXEDRX-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 70.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.41
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 55236489) is 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is Cc1ncsc1C(=O)N1C(C(=O)O)CSC1C(C)C.

What is the InChIKey of 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is SJMLTIRKCXEDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-6(2)11-14(8(4-18-11)12(16)17)10(15)9-7(3)13-5-19-9/h5-6,8,11H,4H2,1-3H3,(H,16,17).

What are the key properties of 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55236489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).