2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid

C21H19N3O3S — CID 11338371

IUPAC2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid
SMILESCc1sc(-c2ccccn2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C21H19N3O3S/c1-14-17(23-21(28-14)18-4-2-3-9-22-18)8-11-27-16-5-6-19-15(12-16)7-10-24(19)13-20(25)26/h2-7,9-10,12H,8,11,13H2,1H3,(H,25,26)
InChIKeyLIJLCCOBCZAMOO-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.17
Rot. Bonds7

About 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid

2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid (PubChem CID 11338371) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid
PubChem CID11338371
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid
SMILESCc1sc(-c2ccccn2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C21H19N3O3S/c1-14-17(23-21(28-14)18-4-2-3-9-22-18)8-11-27-16-5-6-19-15(12-16)7-10-24(19)13-20(25)26/h2-7,9-10,12H,8,11,13H2,1H3,(H,25,26)
InChIKeyLIJLCCOBCZAMOO-UHFFFAOYSA-N
XLogP4.17
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid (CID 11338371) is 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid is Cc1sc(-c2ccccn2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid?
The InChIKey is LIJLCCOBCZAMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14-17(23-21(28-14)18-4-2-3-9-22-18)8-11-27-16-5-6-19-15(12-16)7-10-24(19)13-20(25)26/h2-7,9-10,12H,8,11,13H2,1H3,(H,25,26).
What are the key properties of 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid?
2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid has a molecular weight of 393.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11338371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).