2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide

C8H13N3O2S — CID 99791057

IUPAC2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide
SMILESCC[C@H](C)OCC(=O)Nc1cnns1
InChIInChI=1S/C8H13N3O2S/c1-3-6(2)13-5-7(12)10-8-4-9-11-14-8/h4,6H,3,5H2,1-2H3,(H,10,12)/t6-/m0/s1
InChIKeyPOUAOMQKTHLCKU-LURJTMIESA-N
MW215.28 g/mol
LogP1.29
Rot. Bonds5

About 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide

2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide (PubChem CID 99791057) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide
PubChem CID99791057
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide
SMILESCC[C@H](C)OCC(=O)Nc1cnns1
InChIInChI=1S/C8H13N3O2S/c1-3-6(2)13-5-7(12)10-8-4-9-11-14-8/h4,6H,3,5H2,1-2H3,(H,10,12)/t6-/m0/s1
InChIKeyPOUAOMQKTHLCKU-LURJTMIESA-N
XLogP1.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide?
The IUPAC name of 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide (CID 99791057) is 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide is CC[C@H](C)OCC(=O)Nc1cnns1.
What is the InChIKey of 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide?
The InChIKey is POUAOMQKTHLCKU-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-6(2)13-5-7(12)10-8-4-9-11-14-8/h4,6H,3,5H2,1-2H3,(H,10,12)/t6-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide?
2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide has a molecular weight of 215.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]oxy-N-(thiadiazol-5-yl)acetamide is sourced from PubChem (CID 99791057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).