1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

C17H23FN2S — CID 105373850

IUPAC1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)Cc1cc(F)ccc1C
InChIInChI=1S/C17H23FN2S/c1-4-7-19-16(10-17-20-13(3)11-21-17)9-14-8-15(18)6-5-12(14)2/h5-6,8,11,16,19H,4,7,9-10H2,1-3H3
InChIKeyLBYNGQGHTMEURM-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.05
Rot. Bonds7

About 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (PubChem CID 105373850) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
PubChem CID105373850
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)Cc1cc(F)ccc1C
InChIInChI=1S/C17H23FN2S/c1-4-7-19-16(10-17-20-13(3)11-21-17)9-14-8-15(18)6-5-12(14)2/h5-6,8,11,16,19H,4,7,9-10H2,1-3H3
InChIKeyLBYNGQGHTMEURM-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 105373847
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796544
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105373823
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62798826
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 105374110
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (CID 105373850) is 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1nc(C)cs1)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The InChIKey is LBYNGQGHTMEURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-4-7-19-16(10-17-20-13(3)11-21-17)9-14-8-15(18)6-5-12(14)2/h5-6,8,11,16,19H,4,7,9-10H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine has a molecular weight of 306.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 105373850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).