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

C13H15N3O4S — CID 61183048

IUPAC(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)N2CSC[C@H]2C(=O)O)cc1
InChIInChI=1S/C13H15N3O4S/c1-8(17)14-9-2-4-10(5-3-9)15-13(20)16-7-21-6-11(16)12(18)19/h2-5,11H,6-7H2,1H3,(H,14,17)(H,15,20)(H,18,19)/t11-/m0/s1
InChIKeyNELMIWZWRZFROM-NSHDSACASA-N
MW309.35 g/mol
LogP1.64
Rot. Bonds3

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

(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61183048) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61183048
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)N2CSC[C@H]2C(=O)O)cc1
InChIInChI=1S/C13H15N3O4S/c1-8(17)14-9-2-4-10(5-3-9)15-13(20)16-7-21-6-11(16)12(18)19/h2-5,11H,6-7H2,1H3,(H,14,17)(H,15,20)(H,18,19)/t11-/m0/s1
InChIKeyNELMIWZWRZFROM-NSHDSACASA-N
XLogP1.64
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185499
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
(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
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359495
3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204328
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
(4R)-3-[(2S)-3-(4-acetamidobenzoyl)sulfanyl-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 12813314

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61183048) is (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC(=O)Nc1ccc(NC(=O)N2CSC[C@H]2C(=O)O)cc1.
What is the InChIKey of (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NELMIWZWRZFROM-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8(17)14-9-2-4-10(5-3-9)15-13(20)16-7-21-6-11(16)12(18)19/h2-5,11H,6-7H2,1H3,(H,14,17)(H,15,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61183048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).