N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine

C14H17FN2OS — CID 63935765

IUPACN-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COCc2ccccc2F)cs1
InChIInChI=1S/C14H17FN2OS/c1-2-16-7-14-17-12(10-19-14)9-18-8-11-5-3-4-6-13(11)15/h3-6,10,16H,2,7-9H2,1H3
InChIKeySZKAVYIECGBMON-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.11
Rot. Bonds7

About N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 63935765) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID63935765
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COCc2ccccc2F)cs1
InChIInChI=1S/C14H17FN2OS/c1-2-16-7-14-17-12(10-19-14)9-18-8-11-5-3-4-6-13(11)15/h3-6,10,16H,2,7-9H2,1H3
InChIKeySZKAVYIECGBMON-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2-fluorophenyl)methoxymethyl]-2-pyridinyl]methyl]ethanamine
CID 106908363
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953378
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107661200
N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62444364
N-[[5-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]ethanamine
CID 63935555
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
N-[[4-[(4-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65125120
4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole
CID 63935946
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 63934953

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 63935765) is N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(COCc2ccccc2F)cs1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is SZKAVYIECGBMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-2-16-7-14-17-12(10-19-14)9-18-8-11-5-3-4-6-13(11)15/h3-6,10,16H,2,7-9H2,1H3.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 63935765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).