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

C10H16N4OS2 — CID 8633127

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H16N4OS2/c1-4-14(5-7(2)3)8(15)6-16-10-13-12-9(11)17-10/h2,4-6H2,1,3H3,(H2,11,12)
InChIKeyHGDJQOKTOYLFBO-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.64
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 8633127) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID8633127
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H16N4OS2/c1-4-14(5-7(2)3)8(15)6-16-10-13-12-9(11)17-10/h2,4-6H2,1,3H3,(H2,11,12)
InChIKeyHGDJQOKTOYLFBO-UHFFFAOYSA-N
XLogP1.64
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 8633127) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is HGDJQOKTOYLFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-4-14(5-7(2)3)8(15)6-16-10-13-12-9(11)17-10/h2,4-6H2,1,3H3,(H2,11,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 272.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 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-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 8633127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).