1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C16H21FN2S — CID 43781500

IUPAC1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1ncsc1C(C)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H21FN2S/c1-10(2)15(13-5-7-14(17)8-6-13)19-12(4)16-11(3)18-9-20-16/h5-10,12,15,19H,1-4H3
InChIKeyGHFBBCAMXKIGEY-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.64
Rot. Bonds5

About 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 43781500) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID43781500
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1ncsc1C(C)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H21FN2S/c1-10(2)15(13-5-7-14(17)8-6-13)19-12(4)16-11(3)18-9-20-16/h5-10,12,15,19H,1-4H3
InChIKeyGHFBBCAMXKIGEY-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863036
(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81365857
(4-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101844
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
1-(4-ethoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43788971
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107527119
[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea
CID 43792044
1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685494
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
(1S)-1-(3-chlorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81366710
2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 83076710

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 43781500) is 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is Cc1ncsc1C(C)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is GHFBBCAMXKIGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-10(2)15(13-5-7-14(17)8-6-13)19-12(4)16-11(3)18-9-20-16/h5-10,12,15,19H,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43781500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).