1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine

C13H15FN2S — CID 114833540

IUPAC1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCC(N)(Cc1cncs1)Cc1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-13(15,7-11-8-16-9-17-11)6-10-4-2-3-5-12(10)14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyLTFKKGXRAXUPOJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.78
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 114833540) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID114833540
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCC(N)(Cc1cncs1)Cc1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-13(15,7-11-8-16-9-17-11)6-10-4-2-3-5-12(10)14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyLTFKKGXRAXUPOJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
5-{[4-(Trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine
CID 16228111
5-Phenyl-thiazol-2-ylamine
CID 873119
5-Phenylthiazole
CID 595209
5-((3-Methylphenyl)methyl)-1,3-thiazol-2-amine
CID 708605
5-[(4-Methylphenyl)methyl]-1,3-thiazol-2-amine
CID 732249
2-Bromo-5-phenyl-1,3-thiazole
CID 10728723
5-(1H-inden-1-ylmethyl)-1,3-thiazole
CID 42628292
5-(4-Fluoro-benzyl)-thiazol-2-ylamine
CID 703479
2-Chloro-5-phenyl-1,3-thiazole
CID 21788840
5-((2-Fluorophenyl)methyl)-1,3-thiazol-2-amine
CID 3387135
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 114833540) is 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine is CC(N)(Cc1cncs1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is LTFKKGXRAXUPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-13(15,7-11-8-16-9-17-11)6-10-4-2-3-5-12(10)14/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 114833540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).