N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide

C11H17N3O3S2 — CID 156587035

IUPACN-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide
SMILESCSc1nc(NC(=O)COCC2CCCCO2)ns1
InChIInChI=1S/C11H17N3O3S2/c1-18-11-13-10(14-19-11)12-9(15)7-16-6-8-4-2-3-5-17-8/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyWUXPXHLOLWYLKS-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.78
Rot. Bonds6

About N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide

N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 156587035) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide
PubChem CID156587035
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC NameN-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide
SMILESCSc1nc(NC(=O)COCC2CCCCO2)ns1
InChIInChI=1S/C11H17N3O3S2/c1-18-11-13-10(14-19-11)12-9(15)7-16-6-8-4-2-3-5-17-8/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyWUXPXHLOLWYLKS-UHFFFAOYSA-N
XLogP1.78
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126830880
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 136574265
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
CID 43376662
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 97185478
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124851811
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 131898305

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide (CID 156587035) is N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide is CSc1nc(NC(=O)COCC2CCCCO2)ns1.
What is the InChIKey of N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is WUXPXHLOLWYLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-18-11-13-10(14-19-11)12-9(15)7-16-6-8-4-2-3-5-17-8/h8H,2-7H2,1H3,(H,12,14,15).
What are the key properties of N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide?
N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 156587035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).