(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine

C14H17FN2S — CID 81365728

IUPAC(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCc1nc(CN[C@@H](C)c2cccc(F)c2)cs1
InChIInChI=1S/C14H17FN2S/c1-3-14-17-13(9-18-14)8-16-10(2)11-5-4-6-12(15)7-11/h4-7,9-10,16H,3,8H2,1-2H3/t10-/m0/s1
InChIKeySRAATOWSFBTKIK-JTQLQIEISA-N
MW264.37 g/mol
LogP3.70
Rot. Bonds5

About (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine

(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81365728) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81365728
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCc1nc(CN[C@@H](C)c2cccc(F)c2)cs1
InChIInChI=1S/C14H17FN2S/c1-3-14-17-13(9-18-14)8-16-10(2)11-5-4-6-12(15)7-11/h4-7,9-10,16H,3,8H2,1-2H3/t10-/m0/s1
InChIKeySRAATOWSFBTKIK-JTQLQIEISA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60726588
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180733
(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 81353377
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43770212
7-[[1-(3-fluorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47005785
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
CID 95180705
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine (CID 81365728) is (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine is CCc1nc(CN[C@@H](C)c2cccc(F)c2)cs1.
What is the InChIKey of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is SRAATOWSFBTKIK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-14-17-13(9-18-14)8-16-10(2)11-5-4-6-12(15)7-11/h4-7,9-10,16H,3,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine?
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81365728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).