5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline

C15H20FN3S — CID 75427897

IUPAC5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
SMILESCc1ncsc1CNC(C)c1ccc(F)cc1N(C)C
InChIInChI=1S/C15H20FN3S/c1-10(17-8-15-11(2)18-9-20-15)13-6-5-12(16)7-14(13)19(3)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeyZVVWNFRQAHBENY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.51
Rot. Bonds5

About 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline

5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline (PubChem CID 75427897) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
PubChem CID75427897
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
SMILESCc1ncsc1CNC(C)c1ccc(F)cc1N(C)C
InChIInChI=1S/C15H20FN3S/c1-10(17-8-15-11(2)18-9-20-15)13-6-5-12(16)7-14(13)19(3)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeyZVVWNFRQAHBENY-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 55170716
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111466927
5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 82954658
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 65197135
5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline
CID 75382671
N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 43285209
(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 164629583

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline (CID 75427897) is 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline is Cc1ncsc1CNC(C)c1ccc(F)cc1N(C)C.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline?
The InChIKey is ZVVWNFRQAHBENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-10(17-8-15-11(2)18-9-20-15)13-6-5-12(16)7-14(13)19(3)4/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline?
5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline has a molecular weight of 293.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline is sourced from PubChem (CID 75427897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).