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

C14H18N2OS — CID 43672286

IUPAC3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCOCc1cccc(NC(C)c2csc(C)n2)c1
InChIInChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-13-6-4-5-12(7-13)8-17-3/h4-7,9-10,15H,8H2,1-3H3
InChIKeyLJAQXCDLPZIDPQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.77
Rot. Bonds5

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

3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 43672286) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID43672286
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCOCc1cccc(NC(C)c2csc(C)n2)c1
InChIInChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-13-6-4-5-12(7-13)8-17-3/h4-7,9-10,15H,8H2,1-3H3
InChIKeyLJAQXCDLPZIDPQ-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 43672286) is 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is COCc1cccc(NC(C)c2csc(C)n2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is LJAQXCDLPZIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-13-6-4-5-12(7-13)8-17-3/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 262.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 43672286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).