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

C9H14N4O3S2 — CID 43466001

IUPAC2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid
SMILESCCCSc1nsc(NC(=O)CNCC(=O)O)n1
InChIInChI=1S/C9H14N4O3S2/c1-2-3-17-9-12-8(18-13-9)11-6(14)4-10-5-7(15)16/h10H,2-5H2,1H3,(H,15,16)(H,11,12,13,14)
InChIKeyUZDQWHTVDVZZTQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.65
Rot. Bonds8

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

2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid (PubChem CID 43466001) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid
PubChem CID43466001
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC Name2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid
SMILESCCCSc1nsc(NC(=O)CNCC(=O)O)n1
InChIInChI=1S/C9H14N4O3S2/c1-2-3-17-9-12-8(18-13-9)11-6(14)4-10-5-7(15)16/h10H,2-5H2,1H3,(H,15,16)(H,11,12,13,14)
InChIKeyUZDQWHTVDVZZTQ-UHFFFAOYSA-N
XLogP0.65
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

3-[ethyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]propanoic acid
CID 61010943
2-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 81227681
(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 130612870
3-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylbutanoic acid
CID 105354041
2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-propan-2-ylamino]acetic acid
CID 60839634
2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 63282354
2-methyl-2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]propanoic acid
CID 62820361
2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 66214373
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103577112
ethyl 4-amino-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpyrimidine-5-carboxylate
CID 41433376
2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62672812
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 65463198

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid (CID 43466001) is 2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid is CCCSc1nsc(NC(=O)CNCC(=O)O)n1.
What is the InChIKey of 2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid?
The InChIKey is UZDQWHTVDVZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c1-2-3-17-9-12-8(18-13-9)11-6(14)4-10-5-7(15)16/h10H,2-5H2,1H3,(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]amino]acetic acid?
2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid has a molecular weight of 290.37 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 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]amino]acetic acid is sourced from PubChem (CID 43466001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).