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

C16H21FN2S — CID 61043720

IUPAC1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
SMILESCCCCC(NCc1nc(C)cs1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2S/c1-3-4-5-15(13-6-8-14(17)9-7-13)18-10-16-19-12(2)11-20-16/h6-9,11,15,18H,3-5,10H2,1-2H3
InChIKeyILJUWSUSIKLMCG-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.61
Rot. Bonds7

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

1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine (PubChem CID 61043720) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
PubChem CID61043720
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
SMILESCCCCC(NCc1nc(C)cs1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2S/c1-3-4-5-15(13-6-8-14(17)9-7-13)18-10-16-19-12(2)11-20-16/h6-9,11,15,18H,3-5,10H2,1-2H3
InChIKeyILJUWSUSIKLMCG-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457
1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115633725
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine
CID 107648562
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine (CID 61043720) is 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine is CCCCC(NCc1nc(C)cs1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The InChIKey is ILJUWSUSIKLMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-3-4-5-15(13-6-8-14(17)9-7-13)18-10-16-19-12(2)11-20-16/h6-9,11,15,18H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 61043720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).