1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C12H14FN3S — CID 113260063

IUPAC1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)c2cncc(F)c2)n1
InChIInChI=1S/C12H14FN3S/c1-8-7-17-12(16-8)6-15-9(2)10-3-11(13)5-14-4-10/h3-5,7,9,15H,6H2,1-2H3
InChIKeyDQDFVMMCYGVNGR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 113260063) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID113260063
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)c2cncc(F)c2)n1
InChIInChI=1S/C12H14FN3S/c1-8-7-17-12(16-8)6-15-9(2)10-3-11(13)5-14-4-10/h3-5,7,9,15H,6H2,1-2H3
InChIKeyDQDFVMMCYGVNGR-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(5-fluoro-3-pyridinyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706736
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 71864791
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]benzonitrile
CID 54913077
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 113260063) is 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1csc(CNC(C)c2cncc(F)c2)n1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is DQDFVMMCYGVNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-8-7-17-12(16-8)6-15-9(2)10-3-11(13)5-14-4-10/h3-5,7,9,15H,6H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 113260063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).