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

C15H26N2O3S — CID 63790950

IUPAC2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1(C(=O)N2C(CC)SCC2C(=O)O)CCCNC1
InChIInChI=1S/C15H26N2O3S/c1-3-6-15(7-5-8-16-10-15)14(20)17-11(13(18)19)9-21-12(17)4-2/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyRWPKWLZRXKVMCB-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.92
Rot. Bonds5

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

2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790950) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790950
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1(C(=O)N2C(CC)SCC2C(=O)O)CCCNC1
InChIInChI=1S/C15H26N2O3S/c1-3-6-15(7-5-8-16-10-15)14(20)17-11(13(18)19)9-21-12(17)4-2/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyRWPKWLZRXKVMCB-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792371
(4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63132013
3-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 113312967
4-(3-propylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904432
2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63791654
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
2-ethyl-3-[(1-methylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 64687275
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
2-ethyl-3-(pyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237451
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444964
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63790950) is 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCCC1(C(=O)N2C(CC)SCC2C(=O)O)CCCNC1.
What is the InChIKey of 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RWPKWLZRXKVMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-6-15(7-5-8-16-10-15)14(20)17-11(13(18)19)9-21-12(17)4-2/h11-12,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).