N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide

C13H22N4O3S — CID 124851811

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESCC(C)(NC(=O)COC[C@@H]1CCCCO1)c1nnc(N)s1
InChIInChI=1S/C13H22N4O3S/c1-13(2,11-16-17-12(14)21-11)15-10(18)8-19-7-9-5-3-4-6-20-9/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,18)/t9-/m0/s1
InChIKeySXVFJQAPHBMCNH-VIFPVBQESA-N
MW314.41 g/mol
LogP1.06
Rot. Bonds6

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide (PubChem CID 124851811) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
PubChem CID124851811
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESCC(C)(NC(=O)COC[C@@H]1CCCCO1)c1nnc(N)s1
InChIInChI=1S/C13H22N4O3S/c1-13(2,11-16-17-12(14)21-11)15-10(18)8-19-7-9-5-3-4-6-20-9/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,18)/t9-/m0/s1
InChIKeySXVFJQAPHBMCNH-VIFPVBQESA-N
XLogP1.06
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
CID 97233797
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
CID 46955879
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
CID 43376662
N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide
CID 156587035
2-(oxolan-2-ylmethoxy)-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 136574265
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide (CID 124851811) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide is CC(C)(NC(=O)COC[C@@H]1CCCCO1)c1nnc(N)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The InChIKey is SXVFJQAPHBMCNH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-13(2,11-16-17-12(14)21-11)15-10(18)8-19-7-9-5-3-4-6-20-9/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide is sourced from PubChem (CID 124851811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).