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

C14H14N4S — CID 43692000

IUPACN-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline
SMILESCC(Nc1cccc(-n2cnnc2)c1)c1cccs1
InChIInChI=1S/C14H14N4S/c1-11(14-6-3-7-19-14)17-12-4-2-5-13(8-12)18-9-15-16-10-18/h2-11,17H,1H3
InChIKeyULJLRPKAHVVSEK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.50
Rot. Bonds4

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

N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 43692000) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline
PubChem CID43692000
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline
SMILESCC(Nc1cccc(-n2cnnc2)c1)c1cccs1
InChIInChI=1S/C14H14N4S/c1-11(14-6-3-7-19-14)17-12-4-2-5-13(8-12)18-9-15-16-10-18/h2-11,17H,1H3
InChIKeyULJLRPKAHVVSEK-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
N-(3-methylbutan-2-yl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691997
N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43692009
N-[1-(4-fluorophenyl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43692006
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43738674
N-(1,1-difluoropropan-2-yl)-3-(1,2,4-triazol-4-yl)aniline
CID 102868485
3-ethynyl-N-(1-thiophen-2-ylethyl)aniline
CID 43189637
N-(3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691963
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692010
4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43686655
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline (CID 43692000) is N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline is CC(Nc1cccc(-n2cnnc2)c1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is ULJLRPKAHVVSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-11(14-6-3-7-19-14)17-12-4-2-5-13(8-12)18-9-15-16-10-18/h2-11,17H,1H3.
What are the key properties of N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline?
N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 270.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 43692000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).