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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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).