2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C12H22N2O3S2 — CID 113499285

IUPAC2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCSCC(C)NC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C12H22N2O3S2/c1-4-10-14(9(7-19-10)11(15)16)12(17)13-8(3)6-18-5-2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyODMFAQPJGVVKOG-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.08
Rot. Bonds6

About 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 113499285) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID113499285
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC Name2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCSCC(C)NC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C12H22N2O3S2/c1-4-10-14(9(7-19-10)11(15)16)12(17)13-8(3)6-18-5-2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyODMFAQPJGVVKOG-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113472949
2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63843413
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781123
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
3-(2,3-dimethylbutylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 64597399
2-ethyl-3-[(1-methylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 64687275
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
2-ethyl-3-[(1-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781183
2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781307
2-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 112662886
2-ethyl-3-[methyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780350
3-[cyclopropyl(3-methylbutyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 78950757

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 113499285) is 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCSCC(C)NC(=O)N1C(CC)SCC1C(=O)O.
What is the InChIKey of 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ODMFAQPJGVVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-4-10-14(9(7-19-10)11(15)16)12(17)13-8(3)6-18-5-2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 306.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 113499285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).