N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline

C15H18FN3S — CID 62435139

IUPACN-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1csc(CNC2CC2)n1)c1cccc(F)c1
InChIInChI=1S/C15H18FN3S/c1-19(14-4-2-3-11(16)7-14)9-13-10-20-15(18-13)8-17-12-5-6-12/h2-4,7,10,12,17H,5-6,8-9H2,1H3
InChIKeyNZSATXZCCZLWMP-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline

N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline (PubChem CID 62435139) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
PubChem CID62435139
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC NameN-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1csc(CNC2CC2)n1)c1cccc(F)c1
InChIInChI=1S/C15H18FN3S/c1-19(14-4-2-3-11(16)7-14)9-13-10-20-15(18-13)8-17-12-5-6-12/h2-4,7,10,12,17H,5-6,8-9H2,1H3
InChIKeyNZSATXZCCZLWMP-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62412429
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
CID 62428476
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62431152
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62462542
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435496
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62413200
N-[[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62426181
4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62436403
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63837546
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
CID 62439248
N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55074876

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline (CID 62435139) is N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline is CN(Cc1csc(CNC2CC2)n1)c1cccc(F)c1.
What is the InChIKey of N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline?
The InChIKey is NZSATXZCCZLWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-19(14-4-2-3-11(16)7-14)9-13-10-20-15(18-13)8-17-12-5-6-12/h2-4,7,10,12,17H,5-6,8-9H2,1H3.
What are the key properties of N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline?
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline has a molecular weight of 291.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 62435139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).