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

C13H16N4O2S2 — CID 78785354

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H16N4O2S2/c1-19-10-5-3-2-4-9(10)6-7-15-11(18)8-20-13-17-16-12(14)21-13/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyXLJOOFLXBPPFOZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.58
Rot. Bonds7

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 78785354) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID78785354
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H16N4O2S2/c1-19-10-5-3-2-4-9(10)6-7-15-11(18)8-20-13-17-16-12(14)21-13/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyXLJOOFLXBPPFOZ-UHFFFAOYSA-N
XLogP1.58
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 78785354) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is XLJOOFLXBPPFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-19-10-5-3-2-4-9(10)6-7-15-11(18)8-20-13-17-16-12(14)21-13/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 78785354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).