N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine

C15H19FN2S — CID 102612860

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCc1cnc(CNC(CC)c2cccc(F)c2)s1
InChIInChI=1S/C15H19FN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-6-5-7-12(16)8-11/h5-9,14,17H,3-4,10H2,1-2H3
InChIKeyVGFBIBNXLWCJKW-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.09
Rot. Bonds6

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 102612860) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID102612860
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCc1cnc(CNC(CC)c2cccc(F)c2)s1
InChIInChI=1S/C15H19FN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-6-5-7-12(16)8-11/h5-9,14,17H,3-4,10H2,1-2H3
InChIKeyVGFBIBNXLWCJKW-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871093
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114871579
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114871373

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine (CID 102612860) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine is CCc1cnc(CNC(CC)c2cccc(F)c2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is VGFBIBNXLWCJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-6-5-7-12(16)8-11/h5-9,14,17H,3-4,10H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 102612860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).