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

C12H11F3N2O3S — CID 61181721

IUPAC(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)7-3-1-2-4-8(7)16-11(20)17-6-21-5-9(17)10(18)19/h1-4,9H,5-6H2,(H,16,20)(H,18,19)/t9-/m0/s1
InChIKeyZQSKMNBJNJABEY-VIFPVBQESA-N
MW320.29 g/mol
LogP2.70
Rot. Bonds2

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

(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61181721) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61181721
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)7-3-1-2-4-8(7)16-11(20)17-6-21-5-9(17)10(18)19/h1-4,9H,5-6H2,(H,16,20)(H,18,19)/t9-/m0/s1
InChIKeyZQSKMNBJNJABEY-VIFPVBQESA-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-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
(4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61191848
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61181744
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642
4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82901283
3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204063
(4R)-3-[(2,5-difluoro-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103586681
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61181721) is (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZQSKMNBJNJABEY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c13-12(14,15)7-3-1-2-4-8(7)16-11(20)17-6-21-5-9(17)10(18)19/h1-4,9H,5-6H2,(H,16,20)(H,18,19)/t9-/m0/s1.
What are the key properties of (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[[2-(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 (4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61181721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).