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

C12H12N4O2S2 — CID 2038919

IUPACN-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1
InChIInChI=1S/C12H12N4O2S2/c1-7(17)8-2-4-9(5-3-8)14-10(18)6-19-12-16-15-11(13)20-12/h2-5H,6H2,1H3,(H2,13,15)(H,14,18)
InChIKeyGIUBTYOIBIMTOU-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.05
Rot. Bonds5

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

N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2038919) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID2038919
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC NameN-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1
InChIInChI=1S/C12H12N4O2S2/c1-7(17)8-2-4-9(5-3-8)14-10(18)6-19-12-16-15-11(13)20-12/h2-5H,6H2,1H3,(H2,13,15)(H,14,18)
InChIKeyGIUBTYOIBIMTOU-UHFFFAOYSA-N
XLogP2.05
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 2038919) is N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GIUBTYOIBIMTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c1-7(17)8-2-4-9(5-3-8)14-10(18)6-19-12-16-15-11(13)20-12/h2-5H,6H2,1H3,(H2,13,15)(H,14,18).
What are the key properties of N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2038919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).