N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline

C15H16N4S — CID 43711623

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCc1ccc(C(C)Nc2ccccc2-n2cncn2)s1
InChIInChI=1S/C15H16N4S/c1-11-7-8-15(20-11)12(2)18-13-5-3-4-6-14(13)19-10-16-9-17-19/h3-10,12,18H,1-2H3
InChIKeyGKCZPJKFGRNRRP-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline

N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 43711623) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
PubChem CID43711623
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCc1ccc(C(C)Nc2ccccc2-n2cncn2)s1
InChIInChI=1S/C15H16N4S/c1-11-7-8-15(20-11)12(2)18-13-5-3-4-6-14(13)19-10-16-9-17-19/h3-10,12,18H,1-2H3
InChIKeyGKCZPJKFGRNRRP-UHFFFAOYSA-N
XLogP3.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43726239
N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 64993427
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 83119087
1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 43103289
N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline
CID 63084439
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 61333962
5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43226937
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741
N-[2-(1,2,4-triazol-1-yl)phenyl]formamide
CID 64991070
3-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43726250
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline (CID 43711623) is N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline is Cc1ccc(C(C)Nc2ccccc2-n2cncn2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is GKCZPJKFGRNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-7-8-15(20-11)12(2)18-13-5-3-4-6-14(13)19-10-16-9-17-19/h3-10,12,18H,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 284.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 43711623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).