3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

C19H27N3O5S2 — CID 122330917

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)c1C
InChIInChI=1S/C19H27N3O5S2/c1-7-21-13(3)18(12(2)20-21)29(23,24)22-8-9-28-19(22)14-10-16(26-5)17(27-6)11-15(14)25-4/h10-11,19H,7-9H2,1-6H3
InChIKeyWSXSEJVSNJFGEX-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.98
Rot. Bonds7

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 122330917) has the molecular formula C19H27N3O5S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID122330917
Molecular FormulaC19H27N3O5S2
Molecular Weight441.58 g/mol
Exact Mass441.14
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)c1C
InChIInChI=1S/C19H27N3O5S2/c1-7-21-13(3)18(12(2)20-21)29(23,24)22-8-9-28-19(22)14-10-16(26-5)17(27-6)11-15(14)25-4/h10-11,19H,7-9H2,1-6H3
InChIKeyWSXSEJVSNJFGEX-UHFFFAOYSA-N
XLogP2.98
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
CID 122330921
3-(4-iodophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 23800416
(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1279279
4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
CID 122330940
3-(4-fluoro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330920
3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330878
3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330957
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19615127
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330885
6-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 122330916
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330557
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 122330917) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is CCn1nc(C)c(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is WSXSEJVSNJFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S2/c1-7-21-13(3)18(12(2)20-21)29(23,24)22-8-9-28-19(22)14-10-16(26-5)17(27-6)11-15(14)25-4/h10-11,19H,7-9H2,1-6H3.
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 441.58 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 122330917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).