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

C14H21N5OS — CID 66192558

IUPACN-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCCCNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1
InChIInChI=1S/C14H21N5OS/c1-3-5-15-7-13-9-19(17-16-13)10-14(20)18(2)8-12-4-6-21-11-12/h4,6,9,11,15H,3,5,7-8,10H2,1-2H3
InChIKeyXRTSCZCJHDBLQH-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.50
Rot. Bonds8

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

N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 66192558) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID66192558
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCCCNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1
InChIInChI=1S/C14H21N5OS/c1-3-5-15-7-13-9-19(17-16-13)10-14(20)18(2)8-12-4-6-21-11-12/h4,6,9,11,15H,3,5,7-8,10H2,1-2H3
InChIKeyXRTSCZCJHDBLQH-UHFFFAOYSA-N
XLogP1.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-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 N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 66192558) is N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide is CCCNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1.
What is the InChIKey of N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is XRTSCZCJHDBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-5-15-7-13-9-19(17-16-13)10-14(20)18(2)8-12-4-6-21-11-12/h4,6,9,11,15H,3,5,7-8,10H2,1-2H3.
What are the key properties of N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 66192558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).