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

C12H16N2O4S — CID 61420877

IUPAC3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-2-13(6-9-4-3-5-18-9)12(17)14-8-19-7-10(14)11(15)16/h3-5,10H,2,6-8H2,1H3,(H,15,16)
InChIKeyHTWYWNFAPXTESY-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.68
Rot. Bonds4

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

3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61420877) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61420877
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-2-13(6-9-4-3-5-18-9)12(17)14-8-19-7-10(14)11(15)16/h3-5,10H,2,6-8H2,1H3,(H,15,16)
InChIKeyHTWYWNFAPXTESY-UHFFFAOYSA-N
XLogP1.68
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[furan-2-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198091
1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383673
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904884
3-[ethyl(2-ethylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61437582
(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61197717
(4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107400171
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
N-(furan-2-ylmethyl)-N-methyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 71879400
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948920

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61420877) is 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCN(Cc1ccco1)C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HTWYWNFAPXTESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-13(6-9-4-3-5-18-9)12(17)14-8-19-7-10(14)11(15)16/h3-5,10H,2,6-8H2,1H3,(H,15,16).
What are the key properties of 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61420877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).