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

C12H11N3O3S — CID 61191848

IUPAC(4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESN#Cc1ccccc1NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H11N3O3S/c13-5-8-3-1-2-4-9(8)14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,6-7H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyAAWAMQJSTLAGPL-JTQLQIEISA-N
MW277.31 g/mol
LogP1.55
Rot. Bonds2

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

(4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61191848) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61191848
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name(4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESN#Cc1ccccc1NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H11N3O3S/c13-5-8-3-1-2-4-9(8)14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,6-7H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyAAWAMQJSTLAGPL-JTQLQIEISA-N
XLogP1.55
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.55
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-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61181744
(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196141
4-[2-(2-cyanoanilino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82905658
2-[4-[(2-cyanophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443344
3-(isoquinolin-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205607
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63327691
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61191848) is (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is N#Cc1ccccc1NC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AAWAMQJSTLAGPL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-5-8-3-1-2-4-9(8)14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,6-7H2,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61191848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).