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

C14H18N2OS — CID 43678053

IUPAC2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCOCc1ccccc1NC(C)c1csc(C)n1
InChIInChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-13-7-5-4-6-12(13)8-17-3/h4-7,9-10,15H,8H2,1-3H3
InChIKeyDYGLXTRIWLAFDM-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.77
Rot. Bonds5

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

2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 43678053) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID43678053
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCOCc1ccccc1NC(C)c1csc(C)n1
InChIInChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-13-7-5-4-6-12(13)8-17-3/h4-7,9-10,15H,8H2,1-3H3
InChIKeyDYGLXTRIWLAFDM-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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 43678053) is 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is COCc1ccccc1NC(C)c1csc(C)n1.
What is the InChIKey of 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is DYGLXTRIWLAFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-13-7-5-4-6-12(13)8-17-3/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
2-(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 2-(methoxymethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 43678053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).