N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline

C13H16N2OS — CID 54883557

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
SMILESCCc1ncc(CNc2ccccc2OC)s1
InChIInChI=1S/C13H16N2OS/c1-3-13-15-9-10(17-13)8-14-11-6-4-5-7-12(11)16-2/h4-7,9,14H,3,8H2,1-2H3
InChIKeyREBUVUBPGJAFSX-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.33
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline (PubChem CID 54883557) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
PubChem CID54883557
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
SMILESCCc1ncc(CNc2ccccc2OC)s1
InChIInChI=1S/C13H16N2OS/c1-3-13-15-9-10(17-13)8-14-11-6-4-5-7-12(11)16-2/h4-7,9,14H,3,8H2,1-2H3
InChIKeyREBUVUBPGJAFSX-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxybenzoic acid
CID 63742291
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
CID 60982787
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-4-nitroaniline
CID 60982910
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-5-nitroaniline
CID 60983021
2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883167
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
CID 113268236
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
CID 54883427
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline (CID 54883557) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline is CCc1ncc(CNc2ccccc2OC)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline?
The InChIKey is REBUVUBPGJAFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-13-15-9-10(17-13)8-14-11-6-4-5-7-12(11)16-2/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline has a molecular weight of 248.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 54883557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).