2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C12H21N3O4S — CID 63779442

IUPAC2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H21N3O4S/c1-9-15(10(8-20-9)11(16)17)12(18)13-2-3-14-4-6-19-7-5-14/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyJCUAOJQVHNFXIS-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.12
Rot. Bonds4

About 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779442) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779442
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H21N3O4S/c1-9-15(10(8-20-9)11(16)17)12(18)13-2-3-14-4-6-19-7-5-14/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyJCUAOJQVHNFXIS-UHFFFAOYSA-N
XLogP-0.12
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792064
2-propan-2-yl-3-(2-pyrrolidin-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63782061
(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999377
3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
4-methyl-2-(2-morpholin-4-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390357
4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid
CID 82906797
3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-2-propyl-1,3-thiazolidine-4-carboxamide
CID 42748474
2-(2-morpholin-4-ylethylamino)cyclobutane-1-carboxylic acid
CID 103235780
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 2862149
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63779442) is 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JCUAOJQVHNFXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9-15(10(8-20-9)11(16)17)12(18)13-2-3-14-4-6-19-7-5-14/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 303.38 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).