N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine

C14H17FN2OS — CID 107687349

IUPACN-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cncs2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c1-2-5-16-7-11-3-4-14(13(15)6-11)18-9-12-8-17-10-19-12/h3-4,6,8,10,16H,2,5,7,9H2,1H3
InChIKeyJCUAFLSOZJAXGR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.36
Rot. Bonds7

About N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine

N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 107687349) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID107687349
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cncs2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c1-2-5-16-7-11-3-4-14(13(15)6-11)18-9-12-8-17-10-19-12/h3-4,6,8,10,16H,2,5,7,9H2,1H3
InChIKeyJCUAFLSOZJAXGR-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 115978862
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687153
N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640327
N-[[3-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107687311
N-[[3-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 112640473
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687320
N-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687338
1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640373
N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687173
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107687215
N-[[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 112644518

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine (CID 107687349) is N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2cncs2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is JCUAFLSOZJAXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-2-5-16-7-11-3-4-14(13(15)6-11)18-9-12-8-17-10-19-12/h3-4,6,8,10,16H,2,5,7,9H2,1H3.
What are the key properties of N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107687349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).