3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C14H24N2O3S — CID 64568961

IUPAC3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1CCCCCN1
InChIInChI=1S/C14H24N2O3S/c1-2-6-12-16(11(9-20-12)14(18)19)13(17)10-7-4-3-5-8-15-10/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyYQBLUJAVLOQZTA-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.67
Rot. Bonds4

About 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64568961) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID64568961
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1CCCCCN1
InChIInChI=1S/C14H24N2O3S/c1-2-6-12-16(11(9-20-12)14(18)19)13(17)10-7-4-3-5-8-15-10/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyYQBLUJAVLOQZTA-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(azepane-2-carbonyl)-2-propyl-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

2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63791654
2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63793043
3-[cyclohexyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780501
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 114824462
3-(4-methoxypiperidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780001
3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55236110
3-[2-hydroxyethyl(propyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780042
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
2-ethyl-3-(pyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237451
3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 65291778

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 64568961) is 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)C1CCCCCN1.
What is the InChIKey of 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YQBLUJAVLOQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-2-6-12-16(11(9-20-12)14(18)19)13(17)10-7-4-3-5-8-15-10/h10-12,15H,2-9H2,1H3,(H,18,19).
What are the key properties of 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64568961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).