N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine

C13H15FN2S2 — CID 113386044

IUPACN-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2c(F)cccc2SC)s1
InChIInChI=1S/C13H15FN2S2/c1-3-15-7-9-8-16-13(18-9)12-10(14)5-4-6-11(12)17-2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyOKPBUUKXGKLJQK-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.78
Rot. Bonds5

About N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 113386044) has the molecular formula C13H15FN2S2 and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID113386044
Molecular FormulaC13H15FN2S2
Molecular Weight282.41 g/mol
Exact Mass282.07
IUPAC NameN-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2c(F)cccc2SC)s1
InChIInChI=1S/C13H15FN2S2/c1-3-15-7-9-8-16-13(18-9)12-10(14)5-4-6-11(12)17-2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyOKPBUUKXGKLJQK-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404638
N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55079087
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887585
N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113463495
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104823153
[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol
CID 82422702
1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 113386054
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107504207
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66424484
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 113386044) is N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2c(F)cccc2SC)s1.
What is the InChIKey of N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is OKPBUUKXGKLJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S2/c1-3-15-7-9-8-16-13(18-9)12-10(14)5-4-6-11(12)17-2/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 282.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 113386044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).