[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine

C14H17FN2OS — CID 43530969

IUPAC[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine
SMILESCc1ncsc1CCOCc1ccc(CN)cc1F
InChIInChI=1S/C14H17FN2OS/c1-10-14(19-9-17-10)4-5-18-8-12-3-2-11(7-16)6-13(12)15/h2-3,6,9H,4-5,7-8,16H2,1H3
InChIKeyNGIOEYKBLCYYRP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.81
Rot. Bonds6

About [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine

[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine (PubChem CID 43530969) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine
PubChem CID43530969
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine
SMILESCc1ncsc1CCOCc1ccc(CN)cc1F
InChIInChI=1S/C14H17FN2OS/c1-10-14(19-9-17-10)4-5-18-8-12-3-2-11(7-16)6-13(12)15/h2-3,6,9H,4-5,7-8,16H2,1H3
InChIKeyNGIOEYKBLCYYRP-UHFFFAOYSA-N
XLogP2.81
TPSA48.14 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 ≤ 52.81
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

[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine
CID 62443614
3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 60790887
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
CID 60919309
[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine
CID 112587276
5-[2-[(6-chloropyridazin-3-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 104514129
[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]boronic acid
CID 65327496
4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837489
5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 79240432
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]propanoic acid
CID 105344837
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 62893551

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine (CID 43530969) is [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine is Cc1ncsc1CCOCc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine?
The InChIKey is NGIOEYKBLCYYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-10-14(19-9-17-10)4-5-18-8-12-3-2-11(7-16)6-13(12)15/h2-3,6,9H,4-5,7-8,16H2,1H3.
What are the key properties of [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine?
[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine has a molecular weight of 280.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine is sourced from PubChem (CID 43530969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).