N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

C15H17FN2OS — CID 107696407

IUPACN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCc1csc(COc2ccc(F)cc2CNC2CC2)n1
InChIInChI=1S/C15H17FN2OS/c1-10-9-20-15(18-10)8-19-14-5-2-12(16)6-11(14)7-17-13-3-4-13/h2,5-6,9,13,17H,3-4,7-8H2,1H3
InChIKeyVIXWKLICYFHERC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.42
Rot. Bonds6

About N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 107696407) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID107696407
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC NameN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCc1csc(COc2ccc(F)cc2CNC2CC2)n1
InChIInChI=1S/C15H17FN2OS/c1-10-9-20-15(18-10)8-19-14-5-2-12(16)6-11(14)7-17-13-3-4-13/h2,5-6,9,13,17H,3-4,7-8H2,1H3
InChIKeyVIXWKLICYFHERC-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696476
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240971
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696420
N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696450
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696313
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63326800
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 107014172
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107696269

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 107696407) is N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is Cc1csc(COc2ccc(F)cc2CNC2CC2)n1.
What is the InChIKey of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is VIXWKLICYFHERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-10-9-20-15(18-10)8-19-14-5-2-12(16)6-11(14)7-17-13-3-4-13/h2,5-6,9,13,17H,3-4,7-8H2,1H3.
What are the key properties of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 292.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107696407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).