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

C12H14N4O3S2 — CID 2176354

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C12H14N4O3S2/c1-18-7-3-4-9(19-2)8(5-7)14-10(17)6-20-12-16-15-11(13)21-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyQJOTVARSKURASV-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.87
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 2176354) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID2176354
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C12H14N4O3S2/c1-18-7-3-4-9(19-2)8(5-7)14-10(17)6-20-12-16-15-11(13)21-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyQJOTVARSKURASV-UHFFFAOYSA-N
XLogP1.87
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide (CID 2176354) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is QJOTVARSKURASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-18-7-3-4-9(19-2)8(5-7)14-10(17)6-20-12-16-15-11(13)21-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2176354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).