N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline

C14H14N4S — CID 43673369

IUPACN-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESc1csc(CNc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C14H14N4S/c1-2-14(19-7-1)8-16-13-5-3-12(4-6-13)9-18-11-15-10-17-18/h1-7,10-11,16H,8-9H2
InChIKeyTUDGBTAQKIMDGU-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.00
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline

N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 43673369) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID43673369
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESc1csc(CNc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C14H14N4S/c1-2-14(19-7-1)8-16-13-5-3-12(4-6-13)9-18-11-15-10-17-18/h1-7,10-11,16H,8-9H2
InChIKeyTUDGBTAQKIMDGU-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline 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-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 43673369) is N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline is c1csc(CNc2ccc(Cn3cncn3)cc2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is TUDGBTAQKIMDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-14(19-7-1)8-16-13-5-3-12(4-6-13)9-18-11-15-10-17-18/h1-7,10-11,16H,8-9H2.
What are the key properties of N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 270.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 43673369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).