N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H17FN2OS — CID 114366189

IUPACN-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(F)cc2)nc1COC
InChIInChI=1S/C14H17FN2OS/c1-3-16-8-13-12(9-18-2)17-14(19-13)10-4-6-11(15)7-5-10/h4-7,16H,3,8-9H2,1-2H3
InChIKeyQNLHVEAZTFHTJM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.21
Rot. Bonds6

About N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366189) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366189
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(F)cc2)nc1COC
InChIInChI=1S/C14H17FN2OS/c1-3-16-8-13-12(9-18-2)17-14(19-13)10-4-6-11(15)7-5-10/h4-7,16H,3,8-9H2,1-2H3
InChIKeyQNLHVEAZTFHTJM-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
N-[[2-(3-bromo-5-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366403
N-[[2-(3-chloro-2-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366130
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531
N-[[2-(3-bromo-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366443
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106849687
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
N-[[2-(3,5-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107918079
N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366269
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366260

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366189) is N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccc(F)cc2)nc1COC.
What is the InChIKey of N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is QNLHVEAZTFHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-16-8-13-12(9-18-2)17-14(19-13)10-4-6-11(15)7-5-10/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).