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

C14H18N2OS — CID 43750427

IUPAC2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCOCc1ccccc1NCc1csc(C)n1
InChIInChI=1S/C14H18N2OS/c1-3-17-9-12-6-4-5-7-14(12)15-8-13-10-18-11(2)16-13/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyXHQUPANGAYBRMF-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.60
Rot. Bonds6

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

2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 43750427) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID43750427
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCOCc1ccccc1NCc1csc(C)n1
InChIInChI=1S/C14H18N2OS/c1-3-17-9-12-6-4-5-7-14(12)15-8-13-10-18-11(2)16-13/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyXHQUPANGAYBRMF-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 43750427) is 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is CCOCc1ccccc1NCc1csc(C)n1.
What is the InChIKey of 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is XHQUPANGAYBRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-17-9-12-6-4-5-7-14(12)15-8-13-10-18-11(2)16-13/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 262.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 43750427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).