2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C13H16N2S — CID 64988089

IUPAC2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1ccc(C)c(NC(C)c2nccs2)c1
InChIInChI=1S/C13H16N2S/c1-9-4-5-10(2)12(8-9)15-11(3)13-14-6-7-16-13/h4-8,11,15H,1-3H3
InChIKeyCNGNKCYODQZVIT-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.93
Rot. Bonds3

About 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64988089) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64988089
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1ccc(C)c(NC(C)c2nccs2)c1
InChIInChI=1S/C13H16N2S/c1-9-4-5-10(2)12(8-9)15-11(3)13-14-6-7-16-13/h4-8,11,15H,1-3H3
InChIKeyCNGNKCYODQZVIT-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988281
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 96824409
5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 103271867
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993154
2-chloro-4-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993233
(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81364053
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64988089) is 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is Cc1ccc(C)c(NC(C)c2nccs2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is CNGNKCYODQZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-5-10(2)12(8-9)15-11(3)13-14-6-7-16-13/h4-8,11,15H,1-3H3.
What are the key properties of 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 232.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64988089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).