2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid

C10H16N4O3S3 — CID 43440546

IUPAC2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
SMILESCCCSc1nsc(NC(=O)CSCC(N)C(=O)O)n1
InChIInChI=1S/C10H16N4O3S3/c1-2-3-19-10-13-9(20-14-10)12-7(15)5-18-4-6(11)8(16)17/h6H,2-5,11H2,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyFKOKERZZDQHUHD-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.12
Rot. Bonds9

About 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid

2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid (PubChem CID 43440546) has the molecular formula C10H16N4O3S3 and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
PubChem CID43440546
Molecular FormulaC10H16N4O3S3
Molecular Weight336.46 g/mol
Exact Mass336.04
IUPAC Name2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
SMILESCCCSc1nsc(NC(=O)CSCC(N)C(=O)O)n1
InChIInChI=1S/C10H16N4O3S3/c1-2-3-19-10-13-9(20-14-10)12-7(15)5-18-4-6(11)8(16)17/h6H,2-5,11H2,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyFKOKERZZDQHUHD-UHFFFAOYSA-N
XLogP1.12
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid (CID 43440546) is 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid is CCCSc1nsc(NC(=O)CSCC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The InChIKey is FKOKERZZDQHUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S3/c1-2-3-19-10-13-9(20-14-10)12-7(15)5-18-4-6(11)8(16)17/h6H,2-5,11H2,1H3,(H,16,17)(H,12,13,14,15).
What are the key properties of 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid has a molecular weight of 336.46 g/mol, XLogP of 1.12, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43440546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).