1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine

C13H15FN2S — CID 79824027

IUPAC1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccc(F)cc1)Cc1nccs1
InChIInChI=1S/C13H15FN2S/c1-15-12(9-13-16-6-7-17-13)8-10-2-4-11(14)5-3-10/h2-7,12,15H,8-9H2,1H3
InChIKeyMUYAOGAYRBZIOL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.66
Rot. Bonds5

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

1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79824027) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79824027
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccc(F)cc1)Cc1nccs1
InChIInChI=1S/C13H15FN2S/c1-15-12(9-13-16-6-7-17-13)8-10-2-4-11(14)5-3-10/h2-7,12,15H,8-9H2,1H3
InChIKeyMUYAOGAYRBZIOL-UHFFFAOYSA-N
XLogP2.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824580
1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62601306
2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 79828211
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 82806378
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
1-(4-chlorophenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823693
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79824027) is 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1ccc(F)cc1)Cc1nccs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is MUYAOGAYRBZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-15-12(9-13-16-6-7-17-13)8-10-2-4-11(14)5-3-10/h2-7,12,15H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79824027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).