2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole

C17H14N2OS2 — CID 155815622

IUPAC2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole
SMILESCOc1ccc2c(c1)c(-c1nc(-c3ccsc3)cs1)cn2C
InChIInChI=1S/C17H14N2OS2/c1-19-8-14(13-7-12(20-2)3-4-16(13)19)17-18-15(10-22-17)11-5-6-21-9-11/h3-10H,1-2H3
InChIKeyHLOXGXHKWKODCJ-UHFFFAOYSA-N
MW326.45 g/mol
LogP5.04
Rot. Bonds3

About 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole

2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole (PubChem CID 155815622) has the molecular formula C17H14N2OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole
PubChem CID155815622
Molecular FormulaC17H14N2OS2
Molecular Weight326.45 g/mol
Exact Mass326.05
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole
SMILESCOc1ccc2c(c1)c(-c1nc(-c3ccsc3)cs1)cn2C
InChIInChI=1S/C17H14N2OS2/c1-19-8-14(13-7-12(20-2)3-4-16(13)19)17-18-15(10-22-17)11-5-6-21-9-11/h3-10H,1-2H3
InChIKeyHLOXGXHKWKODCJ-UHFFFAOYSA-N
XLogP5.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
CID 155807224
2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-thiophen-3-yl-1,3-thiazole
CID 155810537
5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine
CID 115109081
2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 171716242
2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole
CID 164946340
6-(5-bromo-1-methylindol-3-yl)-5-(5-methoxy-1-methylindol-3-yl)-1,2,4-triazin-3-amine
CID 169448308
1-(4-methoxyphenyl)-3-thiophen-3-ylpyrazol-4-amine
CID 83216745
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
3-bromo-5-methoxy-1-methylindole
CID 67003649
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
5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole
CID 142199899

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole (CID 155815622) is 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole is COc1ccc2c(c1)c(-c1nc(-c3ccsc3)cs1)cn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole?
The InChIKey is HLOXGXHKWKODCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS2/c1-19-8-14(13-7-12(20-2)3-4-16(13)19)17-18-15(10-22-17)11-5-6-21-9-11/h3-10H,1-2H3.
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole?
2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole has a molecular weight of 326.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 155815622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).