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

C11H11N5O4S2 — CID 2920534

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(N)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11N5O4S2/c1-20-6-2-3-7(8(4-6)16(18)19)13-9(17)5-21-11-15-14-10(12)22-11/h2-4H,5H2,1H3,(H2,12,14)(H,13,17)
InChIKeyOMBOOYATNNKLIT-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.77
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 2920534) has the molecular formula C11H11N5O4S2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID2920534
Molecular FormulaC11H11N5O4S2
Molecular Weight341.37 g/mol
Exact Mass341.03
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(N)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11N5O4S2/c1-20-6-2-3-7(8(4-6)16(18)19)13-9(17)5-21-11-15-14-10(12)22-11/h2-4H,5H2,1H3,(H2,12,14)(H,13,17)
InChIKeyOMBOOYATNNKLIT-UHFFFAOYSA-N
XLogP1.77
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 2920534) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CSc2nnc(N)s2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is OMBOOYATNNKLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4S2/c1-20-6-2-3-7(8(4-6)16(18)19)13-9(17)5-21-11-15-14-10(12)22-11/h2-4H,5H2,1H3,(H2,12,14)(H,13,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 2920534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).