1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine

C14H18N2O2S — CID 82193855

IUPAC1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccccc1OCc1nc(CNC)cs1
InChIInChI=1S/C14H18N2O2S/c1-3-17-12-6-4-5-7-13(12)18-9-14-16-11(8-15-2)10-19-14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeySTFZDVSGQBLPMO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.84
Rot. Bonds7

About 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 82193855) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID82193855
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccccc1OCc1nc(CNC)cs1
InChIInChI=1S/C14H18N2O2S/c1-3-17-12-6-4-5-7-13(12)18-9-14-16-11(8-15-2)10-19-14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeySTFZDVSGQBLPMO-UHFFFAOYSA-N
XLogP2.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 42837275
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 84764244
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine
CID 131072397
N-[(2R)-butan-2-yl]-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 93165084
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62459083
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 82193935
2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94279929

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine (CID 82193855) is 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine is CCOc1ccccc1OCc1nc(CNC)cs1.
What is the InChIKey of 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is STFZDVSGQBLPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-17-12-6-4-5-7-13(12)18-9-14-16-11(8-15-2)10-19-14/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 82193855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).