ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate

C21H21N3O3S — CID 10092094

IUPACethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C21H21N3O3S/c1-2-27-19(25)12-24-11-16(15-7-3-4-8-18(15)24)20(26)17-13-28-21(23-17)14-6-5-9-22-10-14/h3-11,17,21,23H,2,12-13H2,1H3/t17-,21?/m0/s1
InChIKeyCGNSCCFDOWYWKT-PBVYKCSPSA-N
MW395.48 g/mol
LogP3.19
Rot. Bonds6

About ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate

ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate (PubChem CID 10092094) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate
PubChem CID10092094
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Nameethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C21H21N3O3S/c1-2-27-19(25)12-24-11-16(15-7-3-4-8-18(15)24)20(26)17-13-28-21(23-17)14-6-5-9-22-10-14/h3-11,17,21,23H,2,12-13H2,1H3/t17-,21?/m0/s1
InChIKeyCGNSCCFDOWYWKT-PBVYKCSPSA-N
XLogP3.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate with MolForge

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
Mmb-chmica
CID 125181392
1-(1H-Indol-3-yl)-2-morpholin-4-yl-propan-1-one
CID 3768236
Amb-chmica
CID 121494125
Methyl 2-(1-(4-fluorobenzyl)-1H-indole-3-carboxamido)-3-methyl butanoate, its optical and geometric isomers, salts and salts of isomers (Other name: MMB-FUBICA)
CID 129522103
5-Fluoro emb-pica
CID 155907803
N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 9999825
6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10005564
3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indole-1-carboxylic acid tert-butyl ester
CID 10476623
2-(2-methyl-1H-indol-3-yl)-2-oxoethyl morpholine-4-carbodithioate
CID 942297
Ketone, 3-indolyl morpholinomethyl
CID 34865
methyl(1-(pent-4-en-1-yl)-1H-indole-3-carbonyl)-L-valinate
CID 137700478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate (CID 10092094) is ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate is CCOC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate?
The InChIKey is CGNSCCFDOWYWKT-PBVYKCSPSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-27-19(25)12-24-11-16(15-7-3-4-8-18(15)24)20(26)17-13-28-21(23-17)14-6-5-9-22-10-14/h3-11,17,21,23H,2,12-13H2,1H3/t17-,21?/m0/s1.
What are the key properties of ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate?
ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate has a molecular weight of 395.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetate is sourced from PubChem (CID 10092094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).