ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

C19H20N2O3S2 — CID 2106715

About ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 2106715) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
• PubChem CID: 2106715
• Molecular Formula: C19H20N2O3S2
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.09
• IUPAC Name: ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
• SMILES: CCOC(=O)Cc1csc(SCC(=O)c2c[nH]c3c(CC)cccc23)n1
• InChI: InChI=1S/C19H20N2O3S2/c1-3-12-6-5-7-14-15(9-20-18(12)14)16(22)11-26-19-21-13(10-25-19)8-17(23)24-4-2/h5-7,9-10,20H,3-4,8,11H2,1-2H3
• InChIKey: ISWVLYXSJSCNGY-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 72.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The IUPAC name of ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 2106715) is ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The canonical SMILES for ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SCC(=O)c2c[nH]c3c(CC)cccc23)n1.

What is the InChIKey of ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The InChIKey is ISWVLYXSJSCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-3-12-6-5-7-14-15(9-20-18(12)14)16(22)11-26-19-21-13(10-25-19)8-17(23)24-4-2/h5-7,9-10,20H,3-4,8,11H2,1-2H3.

What are the key properties of ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?

ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 388.51 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2106715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).