(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H12F2N2O4S — CID 61196141

IUPAC(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C12H12F2N2O4S/c13-11(14)20-9-4-2-1-3-7(9)15-12(19)16-6-21-5-8(16)10(17)18/h1-4,8,11H,5-6H2,(H,15,19)(H,17,18)/t8-/m0/s1
InChIKeyUIHZJEALEUBHPT-QMMMGPOBSA-N
MW318.30 g/mol
LogP2.28
Rot. Bonds4

About (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61196141) has the molecular formula C12H12F2N2O4S and a molecular weight of 318.30 g/mol. Its IUPAC name is (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61196141
Molecular FormulaC12H12F2N2O4S
Molecular Weight318.30 g/mol
Exact Mass318.05
IUPAC Name(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C12H12F2N2O4S/c13-11(14)20-9-4-2-1-3-7(9)15-12(19)16-6-21-5-8(16)10(17)18/h1-4,8,11H,5-6H2,(H,15,19)(H,17,18)/t8-/m0/s1
InChIKeyUIHZJEALEUBHPT-QMMMGPOBSA-N
XLogP2.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61181721
3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642
(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61181744
3-(isoquinolin-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205607
4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82901283
(2S)-1-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910424
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(4R)-3-[(2,5-difluoro-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103586681

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61196141) is (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UIHZJEALEUBHPT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12F2N2O4S/c13-11(14)20-9-4-2-1-3-7(9)15-12(19)16-6-21-5-8(16)10(17)18/h1-4,8,11H,5-6H2,(H,15,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61196141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).