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

C10H15N3O3S3 — CID 43352447

IUPAC2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
SMILESCCCSc1nsc(NC(=O)CSC(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O3S3/c1-3-4-17-10-12-9(19-13-10)11-7(14)5-18-6(2)8(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,11,12,13,14)
InChIKeyTVWCIEOVPYJLMJ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.18
Rot. Bonds8

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

2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid (PubChem CID 43352447) has the molecular formula C10H15N3O3S3 and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
PubChem CID43352447
Molecular FormulaC10H15N3O3S3
Molecular Weight321.45 g/mol
Exact Mass321.03
IUPAC Name2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
SMILESCCCSc1nsc(NC(=O)CSC(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O3S3/c1-3-4-17-10-12-9(19-13-10)11-7(14)5-18-6(2)8(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,11,12,13,14)
InChIKeyTVWCIEOVPYJLMJ-UHFFFAOYSA-N
XLogP2.18
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[3-(Propylsulfanyl)-1,2,4-thiadiazol-5-YL]propanamide
CID 3128534
N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)butanamide
CID 3128535
N-(3-Butylsulfanyl-[1,2,4]thiadiazol-5-yl)-acetamide
CID 647726
N-[3-(propylsulfanyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 4254359
N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 770450
2-[2-Oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylacetic acid
CID 43352227
3-[2-Oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43352500
2-Amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43440546
2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 43502510
2-Amino-4-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylbutanoic acid
CID 60919761
(2R)-2-amino-3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 61146786
Methyl 3-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylbutanoate
CID 64261904

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The IUPAC name of 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid (CID 43352447) is 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid is CCCSc1nsc(NC(=O)CSC(C)C(=O)O)n1.
What is the InChIKey of 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The InChIKey is TVWCIEOVPYJLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S3/c1-3-4-17-10-12-9(19-13-10)11-7(14)5-18-6(2)8(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,11,12,13,14).
What are the key properties of 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid has a molecular weight of 321.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43352447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).