2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H18N2O4S — CID 63779506

IUPAC2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(Cc1ccoc1)C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H18N2O4S/c1-15(6-9-4-5-20-7-9)14(19)16-11(13(17)18)8-21-12(16)10-2-3-10/h4-5,7,10-12H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyPKAMOLIWRJDXLB-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.07
Rot. Bonds4

About 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779506) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779506
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(Cc1ccoc1)C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H18N2O4S/c1-15(6-9-4-5-20-7-9)14(19)16-11(13(17)18)8-21-12(16)10-2-3-10/h4-5,7,10-12H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyPKAMOLIWRJDXLB-UHFFFAOYSA-N
XLogP2.07
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63779506) is 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CN(Cc1ccoc1)C(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PKAMOLIWRJDXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-15(6-9-4-5-20-7-9)14(19)16-11(13(17)18)8-21-12(16)10-2-3-10/h4-5,7,10-12H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).