2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid

C25H26N6O3S — CID 57018990

About 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid

2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 57018990) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 57018990
• Molecular Formula: C25H26N6O3S
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.18
• IUPAC Name: 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
• SMILES: CCCC1S/C(=N\C(=O)C2CC2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1C(=O)O
• InChI: InChI=1S/C25H26N6O3S/c1-2-5-20-21(24(33)34)31(25(35-20)26-23(32)17-12-13-17)14-15-8-10-16(11-9-15)18-6-3-4-7-19(18)22-27-29-30-28-22/h3-4,6-11,17,20-21H,2,5,12-14H2,1H3,(H,33,34)(H,27,28,29,30)/b26-25-
• InChIKey: ICKTZJUQKXWQJW-QPLCGJKRSA-N
• XLogP: 4.00
• TPSA: 124.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid (CID 57018990) is 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid is CCCC1S/C(=N\C(=O)C2CC2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1C(=O)O.

What is the InChIKey of 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is ICKTZJUQKXWQJW-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-2-5-20-21(24(33)34)31(25(35-20)26-23(32)17-12-13-17)14-15-8-10-16(11-9-15)18-6-3-4-7-19(18)22-27-29-30-28-22/h3-4,6-11,17,20-21H,2,5,12-14H2,1H3,(H,33,34)(H,27,28,29,30)/b26-25-.

What are the key properties of 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid?

2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 490.59 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropanecarbonylimino)-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 57018990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).