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

C13H15FN2S — CID 43670104

IUPACN-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C13H15FN2S/c1-9(13-8-17-10(2)16-13)15-7-11-3-5-12(14)6-4-11/h3-6,8-9,15H,7H2,1-2H3
InChIKeyZNHDVWJAKDOANJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.44
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 43670104) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID43670104
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C13H15FN2S/c1-9(13-8-17-10(2)16-13)15-7-11-3-5-12(14)6-4-11/h3-6,8-9,15H,7H2,1-2H3
InChIKeyZNHDVWJAKDOANJ-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81346960
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54944257
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine
CID 19625057
1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103907022
1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105087852
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
2-bromo-5-fluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 107633286

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 43670104) is N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCc2ccc(F)cc2)cs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is ZNHDVWJAKDOANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(13-8-17-10(2)16-13)15-7-11-3-5-12(14)6-4-11/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 43670104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).