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

C14H15N3O3S — CID 63780153

IUPAC3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H15N3O3S/c1-2-12-17(11(8-21-12)13(18)19)14(20)16-10-5-3-9(7-15)4-6-10/h3-6,11-12H,2,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGMPJCHFBQUOEOA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.33
Rot. Bonds3

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

3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780153) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780153
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H15N3O3S/c1-2-12-17(11(8-21-12)13(18)19)14(20)16-10-5-3-9(7-15)4-6-10/h3-6,11-12H,2,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGMPJCHFBQUOEOA-UHFFFAOYSA-N
XLogP2.33
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 63780153) is 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GMPJCHFBQUOEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-12-17(11(8-21-12)13(18)19)14(20)16-10-5-3-9(7-15)4-6-10/h3-6,11-12H,2,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).