1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C12H13FN2S — CID 61284818

IUPAC1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2S/c1-9(10-2-4-11(13)5-3-10)15-8-12-14-6-7-16-12/h2-7,9,15H,8H2,1H3
InChIKeyKYYZIROJKJXJIL-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 61284818) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID61284818
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2S/c1-9(10-2-4-11(13)5-3-10)15-8-12-14-6-7-16-12/h2-7,9,15H,8H2,1H3
InChIKeyKYYZIROJKJXJIL-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 61286204
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
CID 107706299
1-(2-bromo-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103778187
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43180807
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 61284818) is 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is CC(NCc1nccs1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is KYYZIROJKJXJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-9(10-2-4-11(13)5-3-10)15-8-12-14-6-7-16-12/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 236.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 61284818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).