N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine

C16H24N4S — CID 105159492

IUPACN-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncnn1C)C1CCCc2sccc21
InChIInChI=1S/C16H24N4S/c1-3-8-17-14(10-16-18-11-19-20(16)2)12-5-4-6-15-13(12)7-9-21-15/h7,9,11-12,14,17H,3-6,8,10H2,1-2H3
InChIKeyMXJRWGBQOMAQEP-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine

N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine (PubChem CID 105159492) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine
PubChem CID105159492
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncnn1C)C1CCCc2sccc21
InChIInChI=1S/C16H24N4S/c1-3-8-17-14(10-16-18-11-19-20(16)2)12-5-4-6-15-13(12)7-9-21-15/h7,9,11-12,14,17H,3-6,8,10H2,1-2H3
InChIKeyMXJRWGBQOMAQEP-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105316509
N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105162683
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105167288
N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137544
N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105160517
N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)but-3-en-1-amine
CID 105108253
N-[2-(4-bromothiophen-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine
CID 105139244
3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
CID 105157791
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105171881
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105114281
N-ethyl-2-(3-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105096166
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pentan-1-amine
CID 105125750

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine (CID 105159492) is N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ncnn1C)C1CCCc2sccc21.
What is the InChIKey of N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine?
The InChIKey is MXJRWGBQOMAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-8-17-14(10-16-18-11-19-20(16)2)12-5-4-6-15-13(12)7-9-21-15/h7,9,11-12,14,17H,3-6,8,10H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine?
N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105159492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).