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

C13H16N2OS — CID 43678025

IUPAC2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCOCc1ccccc1NCc1csc(C)n1
InChIInChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)7-14-13-6-4-3-5-11(13)8-16-2/h3-6,9,14H,7-8H2,1-2H3
InChIKeyFDJZGMHUTYJGOD-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.21
Rot. Bonds5

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

2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 43678025) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID43678025
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCOCc1ccccc1NCc1csc(C)n1
InChIInChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)7-14-13-6-4-3-5-11(13)8-16-2/h3-6,9,14H,7-8H2,1-2H3
InChIKeyFDJZGMHUTYJGOD-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 43678025) is 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is COCc1ccccc1NCc1csc(C)n1.
What is the InChIKey of 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is FDJZGMHUTYJGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)7-14-13-6-4-3-5-11(13)8-16-2/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 248.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 43678025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).