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

C24H23N3O2S — CID 162647441

IUPAC2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole
SMILESCOCCn1cc(-c2nc(-c3cn(C)c4ccccc34)cs2)c2cc(OC)ccc21
InChIInChI=1S/C24H23N3O2S/c1-26-13-19(17-6-4-5-7-22(17)26)21-15-30-24(25-21)20-14-27(10-11-28-2)23-9-8-16(29-3)12-18(20)23/h4-9,12-15H,10-11H2,1-3H3
InChIKeyNEFGAVQPJRAXRB-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.58
Rot. Bonds6

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

2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole (PubChem CID 162647441) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole
PubChem CID162647441
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole
SMILESCOCCn1cc(-c2nc(-c3cn(C)c4ccccc34)cs2)c2cc(OC)ccc21
InChIInChI=1S/C24H23N3O2S/c1-26-13-19(17-6-4-5-7-22(17)26)21-15-30-24(25-21)20-14-27(10-11-28-2)23-9-8-16(29-3)12-18(20)23/h4-9,12-15H,10-11H2,1-3H3
InChIKeyNEFGAVQPJRAXRB-UHFFFAOYSA-N
XLogP5.58
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole?
The IUPAC name of 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole (CID 162647441) is 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole is COCCn1cc(-c2nc(-c3cn(C)c4ccccc34)cs2)c2cc(OC)ccc21.
What is the InChIKey of 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole?
The InChIKey is NEFGAVQPJRAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-26-13-19(17-6-4-5-7-22(17)26)21-15-30-24(25-21)20-14-27(10-11-28-2)23-9-8-16(29-3)12-18(20)23/h4-9,12-15H,10-11H2,1-3H3.
What are the key properties of 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole?
2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole has a molecular weight of 417.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole is sourced from PubChem (CID 162647441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).