1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C14H17FN2O2S — CID 114366048

IUPAC1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2c(F)cccc2OC)nc1COC
InChIInChI=1S/C14H17FN2O2S/c1-16-7-12-10(8-18-2)17-14(20-12)13-9(15)5-4-6-11(13)19-3/h4-6,16H,7-8H2,1-3H3
InChIKeyZUZCELFGXZCBLG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds6

About 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114366048) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114366048
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2c(F)cccc2OC)nc1COC
InChIInChI=1S/C14H17FN2O2S/c1-16-7-12-10(8-18-2)17-14(20-12)13-9(15)5-4-6-11(13)19-3/h4-6,16H,7-8H2,1-3H3
InChIKeyZUZCELFGXZCBLG-UHFFFAOYSA-N
XLogP2.82
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-[[2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114887805
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106849687
1-[4-(methoxymethyl)-2-thiophen-3-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366006
1-[2-(2-bromo-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887813
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
1-[2-(4-bromo-2-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083898
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531
1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365915
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114366048) is 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2c(F)cccc2OC)nc1COC.
What is the InChIKey of 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is ZUZCELFGXZCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-16-7-12-10(8-18-2)17-14(20-12)13-9(15)5-4-6-11(13)19-3/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 296.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114366048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).