2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

C24H26N2O4S — CID 10026148

IUPAC2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)n1
InChIInChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
InChIKeyNDSVGELSLGUYIY-KRWDZBQOSA-N
MW438.55 g/mol
LogP5.12
Rot. Bonds10

About 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 10026148) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID10026148
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)n1
InChIInChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
InChIKeyNDSVGELSLGUYIY-KRWDZBQOSA-N
XLogP5.12
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 10026148) is 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is CCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)n1.
What is the InChIKey of 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is NDSVGELSLGUYIY-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1.
What are the key properties of 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 438.55 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5-[3-[[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]oxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 10026148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).