1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine

C7H11FN2S — CID 84766702

IUPAC1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(CF)s1
InChIInChI=1S/C7H11FN2S/c1-5(9-2)6-4-10-7(3-8)11-6/h4-5,9H,3H2,1-2H3
InChIKeyAPTDFVVOPAPXGS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.89
Rot. Bonds3

About 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 84766702) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID84766702
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(CF)s1
InChIInChI=1S/C7H11FN2S/c1-5(9-2)6-4-10-7(3-8)11-6/h4-5,9H,3H2,1-2H3
InChIKeyAPTDFVVOPAPXGS-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 65131746
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 106815131
N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62795004
N-methyl-1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 115092055
N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 115091138
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 65391518
1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 112743764
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 107125231
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750433
N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651183
N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 84766702) is 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(CF)s1.
What is the InChIKey of 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is APTDFVVOPAPXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-5(9-2)6-4-10-7(3-8)11-6/h4-5,9H,3H2,1-2H3.
What are the key properties of 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 174.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 84766702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).