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

C13H15FN2S — CID 83977396

IUPAC3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc(C(CN)Cc2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2S/c1-9-8-17-13(16-9)11(7-15)5-10-3-2-4-12(14)6-10/h2-4,6,8,11H,5,7,15H2,1H3
InChIKeyFXELCNJKGUOTOZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.88
Rot. Bonds4

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

3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977396) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977396
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc(C(CN)Cc2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2S/c1-9-8-17-13(16-9)11(7-15)5-10-3-2-4-12(14)6-10/h2-4,6,8,11H,5,7,15H2,1H3
InChIKeyFXELCNJKGUOTOZ-UHFFFAOYSA-N
XLogP2.88
TPSA38.91 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977372
3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977375
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-methylphenyl)propan-1-amine
CID 83977458
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361
3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82140480
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 83977396) is 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is Cc1csc(C(CN)Cc2cccc(F)c2)n1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is FXELCNJKGUOTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9-8-17-13(16-9)11(7-15)5-10-3-2-4-12(14)6-10/h2-4,6,8,11H,5,7,15H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).