3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H17NO4S — CID 55237071

IUPAC3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1occc1C
InChIInChI=1S/C13H17NO4S/c1-3-4-10-14(9(7-19-10)13(16)17)12(15)11-8(2)5-6-18-11/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyMKGZUBCKMWLXMK-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.36
Rot. Bonds4

About 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55237071) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55237071
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1occc1C
InChIInChI=1S/C13H17NO4S/c1-3-4-10-14(9(7-19-10)13(16)17)12(15)11-8(2)5-6-18-11/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyMKGZUBCKMWLXMK-UHFFFAOYSA-N
XLogP2.36
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 55237071) is 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1occc1C.
What is the InChIKey of 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MKGZUBCKMWLXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-3-4-10-14(9(7-19-10)13(16)17)12(15)11-8(2)5-6-18-11/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55237071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).