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

C8H12N4OS2 — CID 43086515

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1nnc(N)s1
InChIInChI=1S/C8H12N4OS2/c1-3-4-10-6(13)5(2)14-8-12-11-7(9)15-8/h3,5H,1,4H2,2H3,(H2,9,11)(H,10,13)
InChIKeyYOJHEWILSIDDLE-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.90
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide (PubChem CID 43086515) has the molecular formula C8H12N4OS2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide
PubChem CID43086515
Molecular FormulaC8H12N4OS2
Molecular Weight244.34 g/mol
Exact Mass244.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1nnc(N)s1
InChIInChI=1S/C8H12N4OS2/c1-3-4-10-6(13)5(2)14-8-12-11-7(9)15-8/h3,5H,1,4H2,2H3,(H2,9,11)(H,10,13)
InChIKeyYOJHEWILSIDDLE-UHFFFAOYSA-N
XLogP0.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.90
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-enylpropanamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide (CID 43086515) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Sc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide?
The InChIKey is YOJHEWILSIDDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS2/c1-3-4-10-6(13)5(2)14-8-12-11-7(9)15-8/h3,5H,1,4H2,2H3,(H2,9,11)(H,10,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 0.90, 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-enylpropanamide is sourced from PubChem (CID 43086515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).