2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H19N3O3S — CID 63780902

IUPAC2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C14H19N3O3S/c1-3-12-17(11(9-21-12)13(18)19)14(20)16(2)8-10-5-4-6-15-7-10/h4-7,11-12H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyJVTLDIQERLBQFD-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.87
Rot. Bonds4

About 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780902) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780902
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C14H19N3O3S/c1-3-12-17(11(9-21-12)13(18)19)14(20)16(2)8-10-5-4-6-15-7-10/h4-7,11-12H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyJVTLDIQERLBQFD-UHFFFAOYSA-N
XLogP1.87
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79488714
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781779
2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790769
2-ethyl-3-[(4-fluorophenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781546
2-propan-2-yl-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780340
2-ethyl-3-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104553162
2-ethyl-3-(3-phenoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790936
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
(Z)-2,3-dimethyl-4-[methyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 55167727
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780902) is 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)N(C)Cc1cccnc1.
What is the InChIKey of 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JVTLDIQERLBQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-12-17(11(9-21-12)13(18)19)14(20)16(2)8-10-5-4-6-15-7-10/h4-7,11-12H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).