2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline

C14H18N2S — CID 82118529

IUPAC2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1ccc(C)c(NCCc2nc(C)cs2)c1
InChIInChI=1S/C14H18N2S/c1-10-4-5-11(2)13(8-10)15-7-6-14-16-12(3)9-17-14/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyDJFXCJCSJAGFHE-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.72
Rot. Bonds4

About 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline

2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 82118529) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
PubChem CID82118529
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1ccc(C)c(NCCc2nc(C)cs2)c1
InChIInChI=1S/C14H18N2S/c1-10-4-5-11(2)13(8-10)15-7-6-14-16-12(3)9-17-14/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyDJFXCJCSJAGFHE-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82122899
2,4,6-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82121506
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-8-amine
CID 82538975
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82116058
1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913361
5-fluoro-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 63674073
4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 82901841
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
4-bromo-5-fluoro-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 66112510
6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244674

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline (CID 82118529) is 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline is Cc1ccc(C)c(NCCc2nc(C)cs2)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is DJFXCJCSJAGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-5-11(2)13(8-10)15-7-6-14-16-12(3)9-17-14/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 246.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 82118529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).