2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C9H9N3O2S2 — CID 649189

IUPAC2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOCC(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C9H9N3O2S2/c1-14-5-7(13)10-9-12-11-8(16-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,12,13)
InChIKeyBGOHMAJTGWYSNO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.85
Rot. Bonds4

About 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 649189) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID649189
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOCC(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C9H9N3O2S2/c1-14-5-7(13)10-9-12-11-8(16-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,12,13)
InChIKeyBGOHMAJTGWYSNO-UHFFFAOYSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 649189) is 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is COCC(=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BGOHMAJTGWYSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-14-5-7(13)10-9-12-11-8(16-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,12,13).
What are the key properties of 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 649189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).