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

C13H16N2S — CID 82116058

IUPAC2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nccs2)c(C)c1
InChIInChI=1S/C13H16N2S/c1-10-3-4-12(11(2)9-10)14-6-5-13-15-7-8-16-13/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyUVZCGMOEYHXHJE-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.41
Rot. Bonds4

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

2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 82116058) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID82116058
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nccs2)c(C)c1
InChIInChI=1S/C13H16N2S/c1-10-3-4-12(11(2)9-10)14-6-5-13-15-7-8-16-13/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyUVZCGMOEYHXHJE-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82124615
5-methyl-2-[2-(1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 114017092
1-(2,4-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55174442
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142765
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63245324
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
CID 79823757
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543
N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716059
1-N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 55218592
5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278017
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (CID 82116058) is 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is Cc1ccc(NCCc2nccs2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is UVZCGMOEYHXHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-3-4-12(11(2)9-10)14-6-5-13-15-7-8-16-13/h3-4,7-9,14H,5-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 232.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 82116058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).