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

C14H17FN2O3S — CID 62994926

IUPAC(4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C14H17FN2O3S/c1-9(6-10-2-4-11(15)5-3-10)16-14(20)17-8-21-7-12(17)13(18)19/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m0/s1
InChIKeyDWLFCQRIWGXIPT-ACGXKRRESA-N
MW312.37 g/mol
LogP1.93
Rot. Bonds4

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

(4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62994926) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID62994926
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name(4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C14H17FN2O3S/c1-9(6-10-2-4-11(15)5-3-10)16-14(20)17-8-21-7-12(17)13(18)19/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m0/s1
InChIKeyDWLFCQRIWGXIPT-ACGXKRRESA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61475565
(4R)-3-(4-methylsulfanylbutan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104864312
(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54968091
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
3-(1-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197892
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642
4-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82904722
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61189858
2-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]propanoic acid
CID 62997070

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 62994926) is (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC(Cc1ccc(F)cc1)NC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DWLFCQRIWGXIPT-ACGXKRRESA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-9(6-10-2-4-11(15)5-3-10)16-14(20)17-8-21-7-12(17)13(18)19/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m0/s1.
What are the key properties of (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62994926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).