N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide

C8H13N3O2S — CID 115661266

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide
SMILESCc1nsc(NC(=O)COC(C)C)n1
InChIInChI=1S/C8H13N3O2S/c1-5(2)13-4-7(12)10-8-9-6(3)11-14-8/h5H,4H2,1-3H3,(H,9,10,11,12)
InChIKeyWBGOBHPNIKORNV-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.21
Rot. Bonds4

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide (PubChem CID 115661266) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide
PubChem CID115661266
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide
SMILESCc1nsc(NC(=O)COC(C)C)n1
InChIInChI=1S/C8H13N3O2S/c1-5(2)13-4-7(12)10-8-9-6(3)11-14-8/h5H,4H2,1-3H3,(H,9,10,11,12)
InChIKeyWBGOBHPNIKORNV-UHFFFAOYSA-N
XLogP1.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide (CID 115661266) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide is Cc1nsc(NC(=O)COC(C)C)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide?
The InChIKey is WBGOBHPNIKORNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)13-4-7(12)10-8-9-6(3)11-14-8/h5H,4H2,1-3H3,(H,9,10,11,12).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide has a molecular weight of 215.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 115661266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).