(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H13FN2O3S — CID 61189858

IUPAC(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCc1ccccc1F
InChIInChI=1S/C12H13FN2O3S/c13-9-4-2-1-3-8(9)5-14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyAZNBXGYEYBLNBY-JTQLQIEISA-N
MW284.31 g/mol
LogP1.49
Rot. Bonds3

About (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61189858) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61189858
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCc1ccccc1F
InChIInChI=1S/C12H13FN2O3S/c13-9-4-2-1-3-8(9)5-14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyAZNBXGYEYBLNBY-JTQLQIEISA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204063
1-[(2-fluorophenyl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437667
(2S)-1-[(2-fluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61189505
(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61200404
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62533279
(4R)-3-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61181721
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 54963071
(4R)-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106403333
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65245298
3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172227

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61189858) is (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NCc1ccccc1F.
What is the InChIKey of (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AZNBXGYEYBLNBY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13FN2O3S/c13-9-4-2-1-3-8(9)5-14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61189858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).