2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C13H23N3O3S — CID 63780161

IUPAC2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-11-16(10(9-20-11)12(17)18)13(19)15-7-5-14(4-2)6-8-15/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyVDYHDIQCHKEPIW-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.98
Rot. Bonds3

About 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780161) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780161
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-11-16(10(9-20-11)12(17)18)13(19)15-7-5-14(4-2)6-8-15/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyVDYHDIQCHKEPIW-UHFFFAOYSA-N
XLogP0.98
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 79930755
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63775078
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
2-ethyl-3-prop-2-enoyl-1,3-thiazolidine-4-carboxylic acid
CID 63791814
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
3-(4-methoxypiperidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780001
3-(4-ethoxy-4-oxobutanoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63790593
2-ethyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792537
2-ethyl-3-(3-propoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791513
3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780721
3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55236110

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780161) is 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)N1CCN(CC)CC1.
What is the InChIKey of 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VDYHDIQCHKEPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-11-16(10(9-20-11)12(17)18)13(19)15-7-5-14(4-2)6-8-15/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).