(4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C10H13NO3S — CID 15725075

IUPAC(4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2ccco2)N[C@H]1C(=O)O
InChIInChI=1S/C10H13NO3S/c1-10(2)7(9(12)13)11-8(15-10)6-4-3-5-14-6/h3-5,7-8,11H,1-2H3,(H,12,13)/t7-,8?/m0/s1
InChIKeyJFCYOQDRLGNIIB-JAMMHHFISA-N
MW227.28 g/mol
LogP1.85
Rot. Bonds2

About (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 15725075) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID15725075
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2ccco2)N[C@H]1C(=O)O
InChIInChI=1S/C10H13NO3S/c1-10(2)7(9(12)13)11-8(15-10)6-4-3-5-14-6/h3-5,7-8,11H,1-2H3,(H,12,13)/t7-,8?/m0/s1
InChIKeyJFCYOQDRLGNIIB-JAMMHHFISA-N
XLogP1.85
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 15725075) is (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(c2ccco2)N[C@H]1C(=O)O.
What is the InChIKey of (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JFCYOQDRLGNIIB-JAMMHHFISA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(2)7(9(12)13)11-8(15-10)6-4-3-5-14-6/h3-5,7-8,11H,1-2H3,(H,12,13)/t7-,8?/m0/s1.
What are the key properties of (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(furan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 15725075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).