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

C15H19FN2S — CID 102612414

IUPAC1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1csc(C)n1)c1cccc(F)c1
InChIInChI=1S/C15H19FN2S/c1-3-15(12-5-4-6-13(16)9-12)17-8-7-14-10-19-11(2)18-14/h4-6,9-10,15,17H,3,7-8H2,1-2H3
InChIKeyONNJRZAGFCGUBI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.87
Rot. Bonds6

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

1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 102612414) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID102612414
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1csc(C)n1)c1cccc(F)c1
InChIInChI=1S/C15H19FN2S/c1-3-15(12-5-4-6-13(16)9-12)17-8-7-14-10-19-11(2)18-14/h4-6,9-10,15,17H,3,7-8H2,1-2H3
InChIKeyONNJRZAGFCGUBI-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 102612965
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine
CID 103729425
1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949
2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79441055
4-[3-bromo-2-(3-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79430289
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111681964
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 102612414) is 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is CCC(NCCc1csc(C)n1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is ONNJRZAGFCGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-3-15(12-5-4-6-13(16)9-12)17-8-7-14-10-19-11(2)18-14/h4-6,9-10,15,17H,3,7-8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102612414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).