methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate

C17H20N2O3S2 — CID 3869284

IUPACmethyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
SMILESCCSCCN1C(=O)CSC1c1c[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C17H20N2O3S2/c1-3-23-7-6-19-15(20)10-24-16(19)13-9-18-14-8-11(17(21)22-2)4-5-12(13)14/h4-5,8-9,16,18H,3,6-7,10H2,1-2H3
InChIKeyBUYQPSQBVJAQLQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.28
Rot. Bonds6

About methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate

methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate (PubChem CID 3869284) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
PubChem CID3869284
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Namemethyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
SMILESCCSCCN1C(=O)CSC1c1c[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C17H20N2O3S2/c1-3-23-7-6-19-15(20)10-24-16(19)13-9-18-14-8-11(17(21)22-2)4-5-12(13)14/h4-5,8-9,16,18H,3,6-7,10H2,1-2H3
InChIKeyBUYQPSQBVJAQLQ-UHFFFAOYSA-N
XLogP3.28
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate with MolForge

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Related Compounds

methyl 3-[3-[2-(2-hydroxyethylsulfanyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
CID 3780470
methyl 3-[3-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-oxo-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate
CID 3700944
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3872207
methyl 3-[4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate
CID 3700962
methyl 4-[3-(2-tert-butylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 3743052
methyl 3-(2-ethylsulfanylacetyl)-1H-indole-5-carboxylate
CID 86802777
methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
CID 22909425
2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one
CID 3807342
methyl 4-[3-(2-acetamidoethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 5220379
4-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]benzonitrile
CID 3308500
N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide
CID 3808537

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate (CID 3869284) is methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate is CCSCCN1C(=O)CSC1c1c[nH]c2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate?
The InChIKey is BUYQPSQBVJAQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-3-23-7-6-19-15(20)10-24-16(19)13-9-18-14-8-11(17(21)22-2)4-5-12(13)14/h4-5,8-9,16,18H,3,6-7,10H2,1-2H3.
What are the key properties of methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate?
methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate is sourced from PubChem (CID 3869284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).