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

C23H20FN3OS — CID 162661454

IUPAC2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole
SMILESCOCCn1cc(-c2nc(-c3cn(C)c4ccccc34)cs2)c2cc(F)ccc21
InChIInChI=1S/C23H20FN3OS/c1-26-12-18(16-5-3-4-6-21(16)26)20-14-29-23(25-20)19-13-27(9-10-28-2)22-8-7-15(24)11-17(19)22/h3-8,11-14H,9-10H2,1-2H3
InChIKeyMOFWFWGWXXMKQH-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.71
Rot. Bonds5

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

2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole (PubChem CID 162661454) has the molecular formula C23H20FN3OS and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole
PubChem CID162661454
Molecular FormulaC23H20FN3OS
Molecular Weight405.50 g/mol
Exact Mass405.13
IUPAC Name2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole
SMILESCOCCn1cc(-c2nc(-c3cn(C)c4ccccc34)cs2)c2cc(F)ccc21
InChIInChI=1S/C23H20FN3OS/c1-26-12-18(16-5-3-4-6-21(16)26)20-14-29-23(25-20)19-13-27(9-10-28-2)22-8-7-15(24)11-17(19)22/h3-8,11-14H,9-10H2,1-2H3
InChIKeyMOFWFWGWXXMKQH-UHFFFAOYSA-N
XLogP5.71
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole?
The IUPAC name of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole (CID 162661454) is 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole is COCCn1cc(-c2nc(-c3cn(C)c4ccccc34)cs2)c2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole?
The InChIKey is MOFWFWGWXXMKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3OS/c1-26-12-18(16-5-3-4-6-21(16)26)20-14-29-23(25-20)19-13-27(9-10-28-2)22-8-7-15(24)11-17(19)22/h3-8,11-14H,9-10H2,1-2H3.
What are the key properties of 2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole?
2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole has a molecular weight of 405.50 g/mol, XLogP of 5.71, 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-(1-methylindol-3-yl)-1,3-thiazole is sourced from PubChem (CID 162661454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).