2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C15H18N2O3S — CID 63780462

IUPAC2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-9-17(13(8-21-9)14(18)19)15(20)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyNKJMIVYINVNXNG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780462) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780462
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-9-17(13(8-21-9)14(18)19)15(20)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyNKJMIVYINVNXNG-UHFFFAOYSA-N
XLogP2.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79000486
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
3-[(2-aminocyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237660
3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237654
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
CID 23790831
3-[(2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791544
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779533
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236879
3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 64743912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780462) is 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)NC1CC1c1ccccc1.
What is the InChIKey of 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NKJMIVYINVNXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-17(13(8-21-9)14(18)19)15(20)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).