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

C14H18N2S — CID 60727503

IUPAC3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCc1cccc(NCc2csc(CC)n2)c1
InChIInChI=1S/C14H18N2S/c1-3-11-6-5-7-12(8-11)15-9-13-10-17-14(4-2)16-13/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyGHLHGIVCUIZPDW-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.88
Rot. Bonds5

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

3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 60727503) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID60727503
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCc1cccc(NCc2csc(CC)n2)c1
InChIInChI=1S/C14H18N2S/c1-3-11-6-5-7-12(8-11)15-9-13-10-17-14(4-2)16-13/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyGHLHGIVCUIZPDW-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-ethylanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103236150
3-ethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79268214
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-fluoroaniline
CID 115280365
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 60727721
1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 55034636
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
CID 107266062
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazol-4-amine
CID 78921412
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline
CID 60727820
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline
CID 43765094

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline (CID 60727503) is 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline is CCc1cccc(NCc2csc(CC)n2)c1.
What is the InChIKey of 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is GHLHGIVCUIZPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-11-6-5-7-12(8-11)15-9-13-10-17-14(4-2)16-13/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline?
3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 246.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 60727503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).