N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline

C14H18FN3S — CID 66388652

IUPACN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1csc(C(C)N)n1)c1ccccc1F
InChIInChI=1S/C14H18FN3S/c1-3-18(13-7-5-4-6-12(13)15)8-11-9-19-14(17-11)10(2)16/h4-7,9-10H,3,8,16H2,1-2H3
InChIKeyFNDKVNWQTPPPQV-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.33
Rot. Bonds5

About N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline

N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline (PubChem CID 66388652) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline
PubChem CID66388652
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1csc(C(C)N)n1)c1ccccc1F
InChIInChI=1S/C14H18FN3S/c1-3-18(13-7-5-4-6-12(13)15)8-11-9-19-14(17-11)10(2)16/h4-7,9-10H,3,8,16H2,1-2H3
InChIKeyFNDKVNWQTPPPQV-UHFFFAOYSA-N
XLogP3.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 66388632
N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline
CID 106906142
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 66390563
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575
1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388061
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
CID 63887475
N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291267
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 66390190
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661039
N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 138056231
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 66390376

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline (CID 66388652) is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline is CCN(Cc1csc(C(C)N)n1)c1ccccc1F.
What is the InChIKey of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is FNDKVNWQTPPPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-3-18(13-7-5-4-6-12(13)15)8-11-9-19-14(17-11)10(2)16/h4-7,9-10H,3,8,16H2,1-2H3.
What are the key properties of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline?
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline has a molecular weight of 279.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 66388652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).