2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H25N3O3S — CID 63781994

IUPAC2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(CC)C1CCNCC1
InChIInChI=1S/C14H25N3O3S/c1-3-12-17(11(9-21-12)13(18)19)14(20)16(4-2)10-5-7-15-8-6-10/h10-12,15H,3-9H2,1-2H3,(H,18,19)
InChIKeyAILUOHKIPCAGAN-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.42
Rot. Bonds4

About 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781994) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781994
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(CC)C1CCNCC1
InChIInChI=1S/C14H25N3O3S/c1-3-12-17(11(9-21-12)13(18)19)14(20)16(4-2)10-5-7-15-8-6-10/h10-12,15H,3-9H2,1-2H3,(H,18,19)
InChIKeyAILUOHKIPCAGAN-UHFFFAOYSA-N
XLogP1.42
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-[cyclopropyl(3-methylbutyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 78950757
2-ethyl-3-(pyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237451
3-[cyclohexyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780503
3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782142
2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781288
2-ethyl-3-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104553162
2-ethyl-3-[methyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780350
2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780937
2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781779
3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781187
3-[3-(dimethylamino)propyl-ethylcarbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 102995404

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63781994) is 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)N(CC)C1CCNCC1.
What is the InChIKey of 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AILUOHKIPCAGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-12-17(11(9-21-12)13(18)19)14(20)16(4-2)10-5-7-15-8-6-10/h10-12,15H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 315.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).