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

C21H21N3O3S — CID 10092095

IUPACmethyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate
SMILESCOC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C21H21N3O3S/c1-27-19(25)8-10-24-12-16(15-6-2-3-7-18(15)24)20(26)17-13-28-21(23-17)14-5-4-9-22-11-14/h2-7,9,11-12,17,21,23H,8,10,13H2,1H3/t17-,21?/m0/s1
InChIKeyOSAORANEDDGJPR-PBVYKCSPSA-N
MW395.48 g/mol
LogP3.19
Rot. Bonds6

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

methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate (PubChem CID 10092095) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate
PubChem CID10092095
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Namemethyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate
SMILESCOC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C21H21N3O3S/c1-27-19(25)8-10-24-12-16(15-6-2-3-7-18(15)24)20(26)17-13-28-21(23-17)14-5-4-9-22-11-14/h2-7,9,11-12,17,21,23H,8,10,13H2,1H3/t17-,21?/m0/s1
InChIKeyOSAORANEDDGJPR-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 methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate with MolForge

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
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
6-chloro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10070431
6-bromo-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10344174
3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indole-1-carboxylic acid tert-butyl ester
CID 10476623
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
ethyl 4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 665772
2-(1-methylindol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide
CID 49835063
2-(3-propionyl-1H-indol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 1251375
1-(1H-Indol-3-yl)-2-thiomorpholin-4-yl-ethanone
CID 913332
ethyl [3-(2-thienylcarbonyl)-1H-indol-1-yl]acetate
CID 963211

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate?
The IUPAC name of methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate (CID 10092095) is methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate is COC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate?
The InChIKey is OSAORANEDDGJPR-PBVYKCSPSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-27-19(25)8-10-24-12-16(15-6-2-3-7-18(15)24)20(26)17-13-28-21(23-17)14-5-4-9-22-11-14/h2-7,9,11-12,17,21,23H,8,10,13H2,1H3/t17-,21?/m0/s1.
What are the key properties of methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate?
methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate 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 methyl 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanoate is sourced from PubChem (CID 10092095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).