2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

C10H16N4O2S2 — CID 63282354

IUPAC2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CN2CC(O)C2)n1
InChIInChI=1S/C10H16N4O2S2/c1-2-3-17-10-12-9(18-13-10)11-8(16)6-14-4-7(15)5-14/h7,15H,2-6H2,1H3,(H,11,12,13,16)
InChIKeyASWTVLDFLKQUOL-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.66
Rot. Bonds6

About 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 63282354) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID63282354
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CN2CC(O)C2)n1
InChIInChI=1S/C10H16N4O2S2/c1-2-3-17-10-12-9(18-13-10)11-8(16)6-14-4-7(15)5-14/h7,15H,2-6H2,1H3,(H,11,12,13,16)
InChIKeyASWTVLDFLKQUOL-UHFFFAOYSA-N
XLogP0.66
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103577112
2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid
CID 43466001
2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62672812
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62021174
(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 130612870
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 65463198
2-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 81227681
2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 66214373
3-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylbutanoic acid
CID 105354041
3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide
CID 154797726
2-methyl-2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]propanoic acid
CID 62820361
N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
CID 46972422

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (CID 63282354) is 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is CCCSc1nsc(NC(=O)CN2CC(O)C2)n1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is ASWTVLDFLKQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-2-3-17-10-12-9(18-13-10)11-8(16)6-14-4-7(15)5-14/h7,15H,2-6H2,1H3,(H,11,12,13,16).
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 288.40 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 63282354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).