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

C14H14N4S — CID 75385176

IUPACN-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline
SMILESc1csc(CNc2ccccc2Cn2cncn2)c1
InChIInChI=1S/C14H14N4S/c1-2-6-14(16-8-13-5-3-7-19-13)12(4-1)9-18-11-15-10-17-18/h1-7,10-11,16H,8-9H2
InChIKeyILLMGFZBSZXLPH-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.00
Rot. Bonds5

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

N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 75385176) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID75385176
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline
SMILESc1csc(CNc2ccccc2Cn2cncn2)c1
InChIInChI=1S/C14H14N4S/c1-2-6-14(16-8-13-5-3-7-19-13)12(4-1)9-18-11-15-10-17-18/h1-7,10-11,16H,8-9H2
InChIKeyILLMGFZBSZXLPH-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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Related Compounds

1-Phenyl-N*3*-thiophen-2-ylmethyl-1H-[1,2,4]triazole-3,5-diamine
CID 651954
5-(4-Fluorophenyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4358524
5-Phenyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3101602
N-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline
CID 75385174
N-(thiophen-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline
CID 75386379
1-[(3-Methylthiophen-2-yl)methyl]-3-phenyl-1-(1,2,4-triazol-4-yl)urea
CID 145961261
3-(3-Cyanophenyl)-1-[(3-methylthiophen-2-yl)methyl]-1-(1,2,4-triazol-4-yl)urea
CID 145961592
5-(4-Iodophenyl)-7-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine
CID 5099311
N-{4-[(1H-1,2,4-Triazol-1-YL)methyl]phenyl}thiophene-2-carboxamide
CID 30873241
3-methyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}thiophene-2-carboxamide
CID 31964658
5-Methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135410511
1-[(5-Methylthiophen-2-yl)methyl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 56792305

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline (CID 75385176) is N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline is c1csc(CNc2ccccc2Cn2cncn2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is ILLMGFZBSZXLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-6-14(16-8-13-5-3-7-19-13)12(4-1)9-18-11-15-10-17-18/h1-7,10-11,16H,8-9H2.
What are the key properties of N-(thiophen-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline?
N-(thiophen-2-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-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 75385176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).