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

C19H20N2O2S — CID 75385083

IUPAC2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCOCc1ccccc1NCc1csc(COc2ccccc2)n1
InChIInChI=1S/C19H20N2O2S/c1-22-12-15-7-5-6-10-18(15)20-11-16-14-24-19(21-16)13-23-17-8-3-2-4-9-17/h2-10,14,20H,11-13H2,1H3
InChIKeyVUGCDZGVDUHNLO-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.48
Rot. Bonds8

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

2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 75385083) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline
PubChem CID75385083
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCOCc1ccccc1NCc1csc(COc2ccccc2)n1
InChIInChI=1S/C19H20N2O2S/c1-22-12-15-7-5-6-10-18(15)20-11-16-14-24-19(21-16)13-23-17-8-3-2-4-9-17/h2-10,14,20H,11-13H2,1H3
InChIKeyVUGCDZGVDUHNLO-UHFFFAOYSA-N
XLogP4.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
(2R)-3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]butanoic acid
CID 120511103
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 111122709
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methanamine
CID 86947343
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
2-(methoxymethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892911
N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 46009187
2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol
CID 111468628
1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 154748611
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline (CID 75385083) is 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline is COCc1ccccc1NCc1csc(COc2ccccc2)n1.
What is the InChIKey of 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is VUGCDZGVDUHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-22-12-15-7-5-6-10-18(15)20-11-16-14-24-19(21-16)13-23-17-8-3-2-4-9-17/h2-10,14,20H,11-13H2,1H3.
What are the key properties of 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline?
2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 340.45 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 75385083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).