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

C12H13FN2S — CID 62196333

IUPACN-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESFc1ccc(CNCCc2nccs2)cc1
InChIInChI=1S/C12H13FN2S/c13-11-3-1-10(2-4-11)9-14-6-5-12-15-7-8-16-12/h1-4,7-8,14H,5-6,9H2
InChIKeyHVBXEIVYHOAYHV-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.61
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 62196333) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID62196333
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESFc1ccc(CNCCc2nccs2)cc1
InChIInChI=1S/C12H13FN2S/c13-11-3-1-10(2-4-11)9-14-6-5-12-15-7-8-16-12/h1-4,7-8,14H,5-6,9H2
InChIKeyHVBXEIVYHOAYHV-UHFFFAOYSA-N
XLogP2.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62198261
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 63242514
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 55175219
3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63242564
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 62196657
4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 107730832
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 63242570
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 62196333) is N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is Fc1ccc(CNCCc2nccs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is HVBXEIVYHOAYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-11-3-1-10(2-4-11)9-14-6-5-12-15-7-8-16-12/h1-4,7-8,14H,5-6,9H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 236.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62196333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).