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

C12H14N4O2S2 — CID 708017

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H14N4O2S2/c1-2-18-9-6-4-3-5-8(9)14-10(17)7-19-12-16-15-11(13)20-12/h3-6H,2,7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyRYWPJEJAHRHFRO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.25
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 708017) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID708017
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H14N4O2S2/c1-2-18-9-6-4-3-5-8(9)14-10(17)7-19-12-16-15-11(13)20-12/h3-6H,2,7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyRYWPJEJAHRHFRO-UHFFFAOYSA-N
XLogP2.25
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.25
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-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (CID 708017) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is RYWPJEJAHRHFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-2-18-9-6-4-3-5-8(9)14-10(17)7-19-12-16-15-11(13)20-12/h3-6H,2,7H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.25, 6 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 708017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).