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

C21H19N3O3S — CID 11349905

IUPAC2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid
SMILESCc1sc(-c2ccncc2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C21H19N3O3S/c1-14-18(23-21(28-14)15-4-8-22-9-5-15)7-11-27-17-2-3-19-16(12-17)6-10-24(19)13-20(25)26/h2-6,8-10,12H,7,11,13H2,1H3,(H,25,26)
InChIKeyZBIBUSXROAJWFN-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.17
Rot. Bonds7

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

2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid (PubChem CID 11349905) 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-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid
PubChem CID11349905
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid
SMILESCc1sc(-c2ccncc2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C21H19N3O3S/c1-14-18(23-21(28-14)15-4-8-22-9-5-15)7-11-27-17-2-3-19-16(12-17)6-10-24(19)13-20(25)26/h2-6,8-10,12H,7,11,13H2,1H3,(H,25,26)
InChIKeyZBIBUSXROAJWFN-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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Related Compounds

2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid
CID 58677180
2-[5-[(2S)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid
CID 58677208
2-[5-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]indol-1-yl]acetic acid
CID 22250824
2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid
CID 11176575
2-[5-[2-[2-[3,4-bis(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]ethoxy]indol-1-yl]acetic acid
CID 11555312
2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid
CID 11155355
2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid
CID 11374583
methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]amino]acetate
CID 20815029
ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate
CID 22676745
2-[5-[[4-[(3S)-hexa-1,5-dien-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid
CID 162580170
2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoic acid
CID 11431778
tert-butyl 2-[6-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetate
CID 69280492

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid (CID 11349905) is 2-[5-[2-(5-methyl-2-pyridin-4-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-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid is Cc1sc(-c2ccncc2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid?
The InChIKey is ZBIBUSXROAJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14-18(23-21(28-14)15-4-8-22-9-5-15)7-11-27-17-2-3-19-16(12-17)6-10-24(19)13-20(25)26/h2-6,8-10,12H,7,11,13H2,1H3,(H,25,26).
What are the key properties of 2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid?
2-[5-[2-(5-methyl-2-pyridin-4-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-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11349905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).