N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine

C14H17N5S2 — CID 66193922

IUPACN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C14H17N5S2/c1-2-4-15-6-12-7-19(18-17-12)8-13-10-21-14(16-13)11-3-5-20-9-11/h3,5,7,9-10,15H,2,4,6,8H2,1H3
InChIKeyMUNJBTVYOFAVPA-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.01
Rot. Bonds7

About N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine

N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 66193922) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID66193922
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC NameN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C14H17N5S2/c1-2-4-15-6-12-7-19(18-17-12)8-13-10-21-14(16-13)11-3-5-20-9-11/h3,5,7,9-10,15H,2,4,6,8H2,1H3
InChIKeyMUNJBTVYOFAVPA-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine (CID 66193922) is N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2csc(-c3ccsc3)n2)nn1.
What is the InChIKey of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is MUNJBTVYOFAVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-2-4-15-6-12-7-19(18-17-12)8-13-10-21-14(16-13)11-3-5-20-9-11/h3,5,7,9-10,15H,2,4,6,8H2,1H3.
What are the key properties of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 319.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66193922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).