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

C16H19FN2OS — CID 115953672

IUPACN-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1ncsc1CCOc1c(F)cccc1CNC1CC1
InChIInChI=1S/C16H19FN2OS/c1-11-15(21-10-19-11)7-8-20-16-12(3-2-4-14(16)17)9-18-13-5-6-13/h2-4,10,13,18H,5-9H2,1H3
InChIKeyOLPSUYQXWSCCOH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.46
Rot. Bonds7

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

N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 115953672) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID115953672
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1ncsc1CCOc1c(F)cccc1CNC1CC1
InChIInChI=1S/C16H19FN2OS/c1-11-15(21-10-19-11)7-8-20-16-12(3-2-4-14(16)17)9-18-13-5-6-13/h2-4,10,13,18H,5-9H2,1H3
InChIKeyOLPSUYQXWSCCOH-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953673
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
CID 112609795
N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557
N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953616
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
CID 115953954
N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66348869
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]cyclopropanamine
CID 62444769
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62443618

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 115953672) is N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine is Cc1ncsc1CCOc1c(F)cccc1CNC1CC1.
What is the InChIKey of N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is OLPSUYQXWSCCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-11-15(21-10-19-11)7-8-20-16-12(3-2-4-14(16)17)9-18-13-5-6-13/h2-4,10,13,18H,5-9H2,1H3.
What are the key properties of N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 306.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).