N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline

C15H16N4S — CID 43740264

IUPACN-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline
SMILESCCC(Nc1ccc(-n2nccn2)cc1)c1cccs1
InChIInChI=1S/C15H16N4S/c1-2-14(15-4-3-11-20-15)18-12-5-7-13(8-6-12)19-16-9-10-17-19/h3-11,14,18H,2H2,1H3
InChIKeyWAWRGXLPMRZMKX-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.89
Rot. Bonds5

About N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline

N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline (PubChem CID 43740264) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline
PubChem CID43740264
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline
SMILESCCC(Nc1ccc(-n2nccn2)cc1)c1cccs1
InChIInChI=1S/C15H16N4S/c1-2-14(15-4-3-11-20-15)18-12-5-7-13(8-6-12)19-16-9-10-17-19/h3-11,14,18H,2H2,1H3
InChIKeyWAWRGXLPMRZMKX-UHFFFAOYSA-N
XLogP3.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline (CID 43740264) is N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline is CCC(Nc1ccc(-n2nccn2)cc1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline?
The InChIKey is WAWRGXLPMRZMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-14(15-4-3-11-20-15)18-12-5-7-13(8-6-12)19-16-9-10-17-19/h3-11,14,18H,2H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline?
N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline has a molecular weight of 284.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-4-(triazol-2-yl)aniline is sourced from PubChem (CID 43740264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).