3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

C14H19NO4S2 — CID 63792926

IUPAC3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1ccc(CSC)o1
InChIInChI=1S/C14H19NO4S2/c1-3-4-12-15(10(8-21-12)14(17)18)13(16)11-6-5-9(19-11)7-20-2/h5-6,10,12H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyIHUUTYBBFLLEAM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.91
Rot. Bonds6

About 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792926) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792926
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1ccc(CSC)o1
InChIInChI=1S/C14H19NO4S2/c1-3-4-12-15(10(8-21-12)14(17)18)13(16)11-6-5-9(19-11)7-20-2/h5-6,10,12H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyIHUUTYBBFLLEAM-UHFFFAOYSA-N
XLogP2.91
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-nitrofuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792748
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-[4-(aminomethyl)benzoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791131
3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55237071
3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791881
(2S,4S)-3-(2-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 809620
3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792058
(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 66264410
3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 80644761
3-(4-cyanobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792222
3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 82810538
3-(3-phenylpropanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791346

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63792926) is 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1ccc(CSC)o1.
What is the InChIKey of 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IHUUTYBBFLLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-3-4-12-15(10(8-21-12)14(17)18)13(16)11-6-5-9(19-11)7-20-2/h5-6,10,12H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).