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

C21H21N3O3S — CID 67835010

IUPACethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate
SMILESCCOC(=O)Cc1[nH]c2ccccc2c1C(=O)C1CSN(c2cccnc2)C1
InChIInChI=1S/C21H21N3O3S/c1-2-27-19(25)10-18-20(16-7-3-4-8-17(16)23-18)21(26)14-12-24(28-13-14)15-6-5-9-22-11-15/h3-9,11,14,23H,2,10,12-13H2,1H3
InChIKeyTXFVAISITSWJFB-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.64
Rot. Bonds6

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

ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate (PubChem CID 67835010) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate
PubChem CID67835010
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Nameethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate
SMILESCCOC(=O)Cc1[nH]c2ccccc2c1C(=O)C1CSN(c2cccnc2)C1
InChIInChI=1S/C21H21N3O3S/c1-2-27-19(25)10-18-20(16-7-3-4-8-17(16)23-18)21(26)14-12-24(28-13-14)15-6-5-9-22-11-15/h3-9,11,14,23H,2,10,12-13H2,1H3
InChIKeyTXFVAISITSWJFB-UHFFFAOYSA-N
XLogP3.64
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxylate
CID 67834234
N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide
CID 67834298
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
CID 57053887
ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1H-indol-3-yl]-4-oxobutanoate
CID 67786587
ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
CID 11470561
ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate
CID 91665749
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate
CID 154302994
ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]piperidin-1-ium-4-carboxylate
CID 5190269
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate (CID 67835010) is ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate is CCOC(=O)Cc1[nH]c2ccccc2c1C(=O)C1CSN(c2cccnc2)C1.
What is the InChIKey of ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate?
The InChIKey is TXFVAISITSWJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-27-19(25)10-18-20(16-7-3-4-8-17(16)23-18)21(26)14-12-24(28-13-14)15-6-5-9-22-11-15/h3-9,11,14,23H,2,10,12-13H2,1H3.
What are the key properties of ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate?
ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate has a molecular weight of 395.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate is sourced from PubChem (CID 67835010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).