2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

C29H33NO4S — CID 10323352

About 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 10323352) has the molecular formula C29H33NO4S and a molecular weight of 491.65 g/mol. Its IUPAC name is 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
• PubChem CID: 10323352
• Molecular Formula: C29H33NO4S
• Molecular Weight: 491.65 g/mol
• Exact Mass: 491.21
• IUPAC Name: 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
• SMILES: CCCc1cc(-c2nc3c(s2)CCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O
• InChI: InChI=1S/C29H33NO4S/c1-2-5-21-16-22(29-30-25-6-3-7-27(25)35-29)10-13-26(21)34-15-4-14-33-23-11-12-24-19(17-23)8-9-20(24)18-28(31)32/h10-13,16-17,20H,2-9,14-15,18H2,1H3,(H,31,32)/t20-/m0/s1
• InChIKey: FQTHEIJACHCXRP-FQEVSTJZSA-N
• XLogP: 6.60
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.65
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?

The IUPAC name of 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 10323352) is 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

What is the SMILES notation for 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?

The canonical SMILES for 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is CCCc1cc(-c2nc3c(s2)CCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O.

What is the InChIKey of 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?

The InChIKey is FQTHEIJACHCXRP-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H33NO4S/c1-2-5-21-16-22(29-30-25-6-3-7-27(25)35-29)10-13-26(21)34-15-4-14-33-23-11-12-24-19(17-23)8-9-20(24)18-28(31)32/h10-13,16-17,20H,2-9,14-15,18H2,1H3,(H,31,32)/t20-/m0/s1.

What are the key properties of 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?

2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 491.65 g/mol, XLogP of 6.60, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-5-[3-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-propylphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 10323352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).