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

C9H10N4OS — CID 122275649

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C9H10N4OS/c1-7(14)10-4-8-5-13(12-11-8)9-2-3-15-6-9/h2-3,5-6H,4H2,1H3,(H,10,14)
InChIKeyJCUOTZUMEMISTJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.96
Rot. Bonds3

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

N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275649) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275649
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C9H10N4OS/c1-7(14)10-4-8-5-13(12-11-8)9-2-3-15-6-9/h2-3,5-6H,4H2,1H3,(H,10,14)
InChIKeyJCUOTZUMEMISTJ-UHFFFAOYSA-N
XLogP0.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275649) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is CC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is JCUOTZUMEMISTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-7(14)10-4-8-5-13(12-11-8)9-2-3-15-6-9/h2-3,5-6H,4H2,1H3,(H,10,14).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 222.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).