N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline

C14H14N4S — CID 75385174

IUPACN-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline
SMILESc1ccc(NCc2ccsc2)c(Cn2cncn2)c1
InChIInChI=1S/C14H14N4S/c1-2-4-14(16-7-12-5-6-19-9-12)13(3-1)8-18-11-15-10-17-18/h1-6,9-11,16H,7-8H2
InChIKeySTCPJMRVGUDWPE-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.00
Rot. Bonds5

About N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline

N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 75385174) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID75385174
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline
SMILESc1ccc(NCc2ccsc2)c(Cn2cncn2)c1
InChIInChI=1S/C14H14N4S/c1-2-4-14(16-7-12-5-6-19-9-12)13(3-1)8-18-11-15-10-17-18/h1-6,9-11,16H,7-8H2
InChIKeySTCPJMRVGUDWPE-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

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline (CID 75385174) is N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline is c1ccc(NCc2ccsc2)c(Cn2cncn2)c1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is STCPJMRVGUDWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-4-14(16-7-12-5-6-19-9-12)13(3-1)8-18-11-15-10-17-18/h1-6,9-11,16H,7-8H2.
What are the key properties of N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline?
N-(thiophen-3-ylmethyl)-2-(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-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 75385174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).