3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one

C17H21N3O4S — CID 23939955

IUPAC3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)c(C2SCC(=O)N2CCc2cnc[nH]2)c(OC)c1
InChIInChI=1S/C17H21N3O4S/c1-22-12-6-13(23-2)16(14(7-12)24-3)17-20(15(21)9-25-17)5-4-11-8-18-10-19-11/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyFTYFIKSTPJSQBH-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.25
Rot. Bonds7

About 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 23939955) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID23939955
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)c(C2SCC(=O)N2CCc2cnc[nH]2)c(OC)c1
InChIInChI=1S/C17H21N3O4S/c1-22-12-6-13(23-2)16(14(7-12)24-3)17-20(15(21)9-25-17)5-4-11-8-18-10-19-11/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyFTYFIKSTPJSQBH-UHFFFAOYSA-N
XLogP2.25
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 23939955) is 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(OC)c(C2SCC(=O)N2CCc2cnc[nH]2)c(OC)c1.
What is the InChIKey of 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is FTYFIKSTPJSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-22-12-6-13(23-2)16(14(7-12)24-3)17-20(15(21)9-25-17)5-4-11-8-18-10-19-11/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 363.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23939955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).