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

C15H19FN2OS2 — CID 114366141

IUPACN-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSc2ccccc2F)nc1COC
InChIInChI=1S/C15H19FN2OS2/c1-3-17-8-14-12(9-19-2)18-15(21-14)10-20-13-7-5-4-6-11(13)16/h4-7,17H,3,8-10H2,1-2H3
InChIKeyAAHRETYVBAVMRH-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.83
Rot. Bonds8

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

N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366141) has the molecular formula C15H19FN2OS2 and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366141
Molecular FormulaC15H19FN2OS2
Molecular Weight326.46 g/mol
Exact Mass326.09
IUPAC NameN-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSc2ccccc2F)nc1COC
InChIInChI=1S/C15H19FN2OS2/c1-3-17-8-14-12(9-19-2)18-15(21-14)10-20-13-7-5-4-6-11(13)16/h4-7,17H,3,8-10H2,1-2H3
InChIKeyAAHRETYVBAVMRH-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361600
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531
N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366259
N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440618
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
[2-[(2-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361388
[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82440591
N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366170
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189
N-[[2-(3-chloro-2-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366130
N-[[4-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841337
1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366066

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366141) is N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CSc2ccccc2F)nc1COC.
What is the InChIKey of N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is AAHRETYVBAVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS2/c1-3-17-8-14-12(9-19-2)18-15(21-14)10-20-13-7-5-4-6-11(13)16/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 326.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).