N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline

C13H13N5S — CID 64993427

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cncn1)c1nccs1
InChIInChI=1S/C13H13N5S/c1-10(13-15-6-7-19-13)17-11-4-2-3-5-12(11)18-9-14-8-16-18/h2-10,17H,1H3
InChIKeyAHJREKNQDFRPQV-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.90
Rot. Bonds4

About N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline

N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 64993427) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
PubChem CID64993427
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cncn1)c1nccs1
InChIInChI=1S/C13H13N5S/c1-10(13-15-6-7-19-13)17-11-4-2-3-5-12(11)18-9-14-8-16-18/h2-10,17H,1H3
InChIKeyAHJREKNQDFRPQV-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43711623
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 83119087
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64992944
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 96824409
N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
CID 64992997
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085
N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166360
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline (CID 64993427) is N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline is CC(Nc1ccccc1-n1cncn1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is AHJREKNQDFRPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-10(13-15-6-7-19-13)17-11-4-2-3-5-12(11)18-9-14-8-16-18/h2-10,17H,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 271.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 64993427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).