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

C11H13N5O2S — CID 122275858

IUPAC2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C11H13N5O2S/c1-8(17)12-5-11(18)13-4-9-6-16(15-14-9)10-2-3-19-7-10/h2-3,6-7H,4-5H2,1H3,(H,12,17)(H,13,18)
InChIKeyKHQXETQUXJVMKC-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.08
Rot. Bonds5

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

2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275858) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275858
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C11H13N5O2S/c1-8(17)12-5-11(18)13-4-9-6-16(15-14-9)10-2-3-19-7-10/h2-3,6-7H,4-5H2,1H3,(H,12,17)(H,13,18)
InChIKeyKHQXETQUXJVMKC-UHFFFAOYSA-N
XLogP0.08
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275858) is 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is CC(=O)NCC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is KHQXETQUXJVMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-8(17)12-5-11(18)13-4-9-6-16(15-14-9)10-2-3-19-7-10/h2-3,6-7H,4-5H2,1H3,(H,12,17)(H,13,18).
What are the key properties of 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 279.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).