3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H11F3N2O3S — CID 61183483

IUPAC3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)7-1-3-8(4-2-7)16-11(20)17-6-21-5-9(17)10(18)19/h1-4,9H,5-6H2,(H,16,20)(H,18,19)
InChIKeyOKSXLALWCMBODO-UHFFFAOYSA-N
MW320.29 g/mol
LogP2.70
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61183483) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61183483
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)7-1-3-8(4-2-7)16-11(20)17-6-21-5-9(17)10(18)19/h1-4,9H,5-6H2,(H,16,20)(H,18,19)
InChIKeyOKSXLALWCMBODO-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185499
(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61181721
(4R)-3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65437388
3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65436999
methyl (4R)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110191701
3-[(4-ethoxy-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103996501
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114222520
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61183483) is 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OKSXLALWCMBODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c13-12(14,15)7-1-3-8(4-2-7)16-11(20)17-6-21-5-9(17)10(18)19/h1-4,9H,5-6H2,(H,16,20)(H,18,19).
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 320.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61183483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).