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

C16H21FN2S — CID 105019318

IUPACN-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1ccc(C)cc1F
InChIInChI=1S/C16H21FN2S/c1-4-7-18-15(9-16-19-12(3)10-20-16)13-6-5-11(2)8-14(13)17/h5-6,8,10,15,18H,4,7,9H2,1-3H3
InChIKeyGWRKJMKLXDAMLX-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.18
Rot. Bonds6

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

N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 105019318) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID105019318
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1ccc(C)cc1F
InChIInChI=1S/C16H21FN2S/c1-4-7-18-15(9-16-19-12(3)10-20-16)13-6-5-11(2)8-14(13)17/h5-6,8,10,15,18H,4,7,9H2,1-3H3
InChIKeyGWRKJMKLXDAMLX-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromo-3,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107539423
N-[1-(4-methoxy-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65318369
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 105019681
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62797403
N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019257
1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 105019318) is N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)c1ccc(C)cc1F.
What is the InChIKey of N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is GWRKJMKLXDAMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-4-7-18-15(9-16-19-12(3)10-20-16)13-6-5-11(2)8-14(13)17/h5-6,8,10,15,18H,4,7,9H2,1-3H3.
What are the key properties of N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105019318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).