2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

C10H12N4O2S — CID 122275725

IUPAC2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCOCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C10H12N4O2S/c1-16-6-10(15)11-4-8-5-14(13-12-8)9-2-3-17-7-9/h2-3,5,7H,4,6H2,1H3,(H,11,15)
InChIKeyQNKVZEHSXSNKKS-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.59
Rot. Bonds5

About 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275725) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275725
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCOCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C10H12N4O2S/c1-16-6-10(15)11-4-8-5-14(13-12-8)9-2-3-17-7-9/h2-3,5,7H,4,6H2,1H3,(H,11,15)
InChIKeyQNKVZEHSXSNKKS-UHFFFAOYSA-N
XLogP0.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275725) is 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is COCC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is QNKVZEHSXSNKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-16-6-10(15)11-4-8-5-14(13-12-8)9-2-3-17-7-9/h2-3,5,7H,4,6H2,1H3,(H,11,15).
What are the key properties of 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 252.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).