2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid

C19H21N3O4S — CID 57411717

IUPAC2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid
SMILES[2H]C([2H])([2H])C1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C19H21N3O4S/c1-12-10-13-4-2-3-5-15(13)22(12)16(23)11-14-17(18(24)25)27-19(20-14)21-6-8-26-9-7-21/h2-5,12H,6-11H2,1H3,(H,24,25)/i1D3
InChIKeyKRJAHQUEHOJBJP-FIBGUPNXSA-N
MW390.48 g/mol
LogP2.20
Rot. Bonds5

About 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid

2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 57411717) has the molecular formula C19H21N3O4S and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID57411717
Molecular FormulaC19H21N3O4S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid
SMILES[2H]C([2H])([2H])C1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C19H21N3O4S/c1-12-10-13-4-2-3-5-15(13)22(12)16(23)11-14-17(18(24)25)27-19(20-14)21-6-8-26-9-7-21/h2-5,12H,6-11H2,1H3,(H,24,25)/i1D3
InChIKeyKRJAHQUEHOJBJP-FIBGUPNXSA-N
XLogP2.20
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid 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

2-morpholin-4-yl-4-[2-oxo-2-[(2R)-2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 57410173
4-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 57411715
4-[2-(4-chloro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 57411716
4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 57410175
4-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 57410290
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4-sulfanylidene-1H-pyrimidin-2-yl)ethanone;1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4-sulfanylidene-1H-pyrimidin-2-yl)ethanone
CID 118362214
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4-sulfanylidene-1H-pyrimidin-2-yl)ethanone
CID 71534433
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108956535
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110651148
2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7778266
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid (CID 57411717) is 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid is [2H]C([2H])([2H])C1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(=O)O.
What is the InChIKey of 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is KRJAHQUEHOJBJP-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-10-13-4-2-3-5-15(13)22(12)16(23)11-14-17(18(24)25)27-19(20-14)21-6-8-26-9-7-21/h2-5,12H,6-11H2,1H3,(H,24,25)/i1D3.
What are the key properties of 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 390.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 57411717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).