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

C7H10N4OS2 — CID 16524205

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nnc(N)s1
InChIInChI=1S/C7H10N4OS2/c1-2-3-9-5(12)4-13-7-11-10-6(8)14-7/h2H,1,3-4H2,(H2,8,10)(H,9,12)
InChIKeyPGGAOUSDRKJGAZ-UHFFFAOYSA-N
MW230.32 g/mol
LogP0.51
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide (PubChem CID 16524205) has the molecular formula C7H10N4OS2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
PubChem CID16524205
Molecular FormulaC7H10N4OS2
Molecular Weight230.32 g/mol
Exact Mass230.03
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nnc(N)s1
InChIInChI=1S/C7H10N4OS2/c1-2-3-9-5(12)4-13-7-11-10-6(8)14-7/h2H,1,3-4H2,(H2,8,10)(H,9,12)
InChIKeyPGGAOUSDRKJGAZ-UHFFFAOYSA-N
XLogP0.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
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-prop-2-enylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide (CID 16524205) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The InChIKey is PGGAOUSDRKJGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS2/c1-2-3-9-5(12)4-13-7-11-10-6(8)14-7/h2H,1,3-4H2,(H2,8,10)(H,9,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide has a molecular weight of 230.32 g/mol, XLogP of 0.51, 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-prop-2-enylacetamide is sourced from PubChem (CID 16524205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).