2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C13H19N5OS — CID 66193103

IUPAC2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCCNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1
InChIInChI=1S/C13H19N5OS/c1-3-14-6-12-8-18(16-15-12)9-13(19)17(2)7-11-4-5-20-10-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3
InChIKeyJFGKRKIOTLOBTP-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.11
Rot. Bonds7

About 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 66193103) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID66193103
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCCNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1
InChIInChI=1S/C13H19N5OS/c1-3-14-6-12-8-18(16-15-12)9-13(19)17(2)7-11-4-5-20-10-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3
InChIKeyJFGKRKIOTLOBTP-UHFFFAOYSA-N
XLogP1.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)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-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 66193103) is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CCNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1.
What is the InChIKey of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is JFGKRKIOTLOBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-14-6-12-8-18(16-15-12)9-13(19)17(2)7-11-4-5-20-10-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 66193103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).