2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide

C8H14N4OS2 — CID 16524208

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H14N4OS2/c1-5(2)3-10-6(13)4-14-8-12-11-7(9)15-8/h5H,3-4H2,1-2H3,(H2,9,11)(H,10,13)
InChIKeyFLEIYJXUVINSSU-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.98
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 16524208) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID16524208
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H14N4OS2/c1-5(2)3-10-6(13)4-14-8-12-11-7(9)15-8/h5H,3-4H2,1-2H3,(H2,9,11)(H,10,13)
InChIKeyFLEIYJXUVINSSU-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide (CID 16524208) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is FLEIYJXUVINSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-5(2)3-10-6(13)4-14-8-12-11-7(9)15-8/h5H,3-4H2,1-2H3,(H2,9,11)(H,10,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 246.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 16524208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).