2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid

C12H15NO3S — CID 24700314

IUPAC2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CC1c1ccc(C2NC(C(=O)O)CS2)o1
InChIInChI=1S/C12H15NO3S/c1-6-4-7(6)9-2-3-10(16-9)11-13-8(5-17-11)12(14)15/h2-3,6-8,11,13H,4-5H2,1H3,(H,14,15)
InChIKeyDTIBKGHBBWCMTP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.19
Rot. Bonds3

About 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid

2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24700314) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID24700314
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CC1c1ccc(C2NC(C(=O)O)CS2)o1
InChIInChI=1S/C12H15NO3S/c1-6-4-7(6)9-2-3-10(16-9)11-13-8(5-17-11)12(14)15/h2-3,6-8,11,13H,4-5H2,1H3,(H,14,15)
InChIKeyDTIBKGHBBWCMTP-UHFFFAOYSA-N
XLogP2.19
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid (CID 24700314) is 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid is CC1CC1c1ccc(C2NC(C(=O)O)CS2)o1.
What is the InChIKey of 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DTIBKGHBBWCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-6-4-7(6)9-2-3-10(16-9)11-13-8(5-17-11)12(14)15/h2-3,6-8,11,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24700314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).