2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole

C19H16FN3OS — CID 155809463

IUPAC2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole
SMILESCOCCn1cc(-c2nc(-c3cccnc3)cs2)c2cc(F)ccc21
InChIInChI=1S/C19H16FN3OS/c1-24-8-7-23-11-16(15-9-14(20)4-5-18(15)23)19-22-17(12-25-19)13-3-2-6-21-10-13/h2-6,9-12H,7-8H2,1H3
InChIKeyWTTWYGFENVSIDX-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.61
Rot. Bonds5

About 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole

2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole (PubChem CID 155809463) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole
PubChem CID155809463
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole
SMILESCOCCn1cc(-c2nc(-c3cccnc3)cs2)c2cc(F)ccc21
InChIInChI=1S/C19H16FN3OS/c1-24-8-7-23-11-16(15-9-14(20)4-5-18(15)23)19-22-17(12-25-19)13-3-2-6-21-10-13/h2-6,9-12H,7-8H2,1H3
InChIKeyWTTWYGFENVSIDX-UHFFFAOYSA-N
XLogP4.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Lidorestat
CID 157839
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3d
CID 5329364
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
2-{6-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9800756
2-[6-(morpholin-4-yl)-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl]acetic acid
CID 9804333
2-{3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9819307
2-{3-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9819308
2-{5-fluoro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9843574
2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}propanoic acid
CID 9865185

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole (CID 155809463) is 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole is COCCn1cc(-c2nc(-c3cccnc3)cs2)c2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole?
The InChIKey is WTTWYGFENVSIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-24-8-7-23-11-16(15-9-14(20)4-5-18(15)23)19-22-17(12-25-19)13-3-2-6-21-10-13/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole?
2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 353.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 155809463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).