1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine

C15H18F2N2S — CID 115679837

IUPAC1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCCc1cnc(C(C)NC(C)c2ccc(F)cc2F)s1
InChIInChI=1S/C15H18F2N2S/c1-4-12-8-18-15(20-12)10(3)19-9(2)13-6-5-11(16)7-14(13)17/h5-10,19H,4H2,1-3H3
InChIKeyBNKNFKNNHHLMLR-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.40
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine

1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 115679837) has the molecular formula C15H18F2N2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID115679837
Molecular FormulaC15H18F2N2S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCCc1cnc(C(C)NC(C)c2ccc(F)cc2F)s1
InChIInChI=1S/C15H18F2N2S/c1-4-12-8-18-15(20-12)10(3)19-9(2)13-6-5-11(16)7-14(13)17/h5-10,19H,4H2,1-3H3
InChIKeyBNKNFKNNHHLMLR-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115681963
(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 99637053
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295085
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
1-(1-benzothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 114910046
1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81399961
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine (CID 115679837) is 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine is CCc1cnc(C(C)NC(C)c2ccc(F)cc2F)s1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is BNKNFKNNHHLMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2S/c1-4-12-8-18-15(20-12)10(3)19-9(2)13-6-5-11(16)7-14(13)17/h5-10,19H,4H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine?
1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 296.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115679837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).