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

C18H15FN2OS2 — CID 155810537

IUPAC2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole
SMILESCOCCn1cc(-c2nc(-c3ccsc3)cs2)c2cc(F)ccc21
InChIInChI=1S/C18H15FN2OS2/c1-22-6-5-21-9-15(14-8-13(19)2-3-17(14)21)18-20-16(11-24-18)12-4-7-23-10-12/h2-4,7-11H,5-6H2,1H3
InChIKeyIHWBCNRANCDJOG-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.28
Rot. Bonds5

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

2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole (PubChem CID 155810537) has the molecular formula C18H15FN2OS2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole
PubChem CID155810537
Molecular FormulaC18H15FN2OS2
Molecular Weight358.46 g/mol
Exact Mass358.06
IUPAC Name2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole
SMILESCOCCn1cc(-c2nc(-c3ccsc3)cs2)c2cc(F)ccc21
InChIInChI=1S/C18H15FN2OS2/c1-22-6-5-21-9-15(14-8-13(19)2-3-17(14)21)18-20-16(11-24-18)12-4-7-23-10-12/h2-4,7-11H,5-6H2,1H3
InChIKeyIHWBCNRANCDJOG-UHFFFAOYSA-N
XLogP5.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole
CID 155815622
4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole
CID 9232581
5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol
CID 126489233
5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 73387404
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide
CID 113437296
1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
CID 121211266
1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 39850819
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
4-(5-methoxy-2-methyl-1-prop-2-ynylindol-3-yl)-2-(6-methoxy-1-prop-2-ynylindol-3-yl)-1,3-thiazole
CID 176955721
4-fluoro-2-[1-(2-methoxyethyl)pyrazol-4-yl]aniline
CID 171116020
5-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)-2-methylpyrrole-3-carboxylic acid
CID 3326993

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole (CID 155810537) is 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole is COCCn1cc(-c2nc(-c3ccsc3)cs2)c2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole?
The InChIKey is IHWBCNRANCDJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS2/c1-22-6-5-21-9-15(14-8-13(19)2-3-17(14)21)18-20-16(11-24-18)12-4-7-23-10-12/h2-4,7-11H,5-6H2,1H3.
What are the key properties of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole?
2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole has a molecular weight of 358.46 g/mol, XLogP of 5.28, 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-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 155810537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).