2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol

C12H13FN2OS — CID 112606910

IUPAC2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCC(NCc1cccc(F)c1O)c1nccs1
InChIInChI=1S/C12H13FN2OS/c1-8(12-14-5-6-17-12)15-7-9-3-2-4-10(13)11(9)16/h2-6,8,15-16H,7H2,1H3
InChIKeyZRKIMXYJAJOQEP-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.84
Rot. Bonds4

About 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol

2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol (PubChem CID 112606910) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
PubChem CID112606910
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCC(NCc1cccc(F)c1O)c1nccs1
InChIInChI=1S/C12H13FN2OS/c1-8(12-14-5-6-17-12)15-7-9-3-2-4-10(13)11(9)16/h2-6,8,15-16H,7H2,1H3
InChIKeyZRKIMXYJAJOQEP-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598627
2-fluoro-6-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 106282032
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 113348876
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 113348121
N-[(3-fluoro-4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63867557
2-nitro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzoic acid
CID 103253578
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
5-fluoro-N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77045189
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610621

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol (CID 112606910) is 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol is CC(NCc1cccc(F)c1O)c1nccs1.
What is the InChIKey of 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The InChIKey is ZRKIMXYJAJOQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-8(12-14-5-6-17-12)15-7-9-3-2-4-10(13)11(9)16/h2-6,8,15-16H,7H2,1H3.
What are the key properties of 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol has a molecular weight of 252.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 112606910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).