2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol

C12H13FN2OS — CID 112606660

IUPAC2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol
SMILESCc1ncc(CNCc2cccc(F)c2O)s1
InChIInChI=1S/C12H13FN2OS/c1-8-15-7-10(17-8)6-14-5-9-3-2-4-11(13)12(9)16/h2-4,7,14,16H,5-6H2,1H3
InChIKeyLHFXYONPEBVTMQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.59
Rot. Bonds4

About 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol

2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol (PubChem CID 112606660) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol
PubChem CID112606660
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol
SMILESCc1ncc(CNCc2cccc(F)c2O)s1
InChIInChI=1S/C12H13FN2OS/c1-8-15-7-10(17-8)6-14-5-9-3-2-4-11(13)12(9)16/h2-4,7,14,16H,5-6H2,1H3
InChIKeyLHFXYONPEBVTMQ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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

2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid
CID 115461723
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
2-fluoro-6-[[(4-methylthiophen-3-yl)methylamino]methyl]phenol
CID 112607074
2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941776
methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate
CID 61281603
2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
CID 112606725
2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
CID 112607038
3-fluoro-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzonitrile
CID 61281030
3-fluoro-N'-hydroxy-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzenecarboximidamide
CID 77031672
1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61280616
2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415448
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol (CID 112606660) is 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol is Cc1ncc(CNCc2cccc(F)c2O)s1.
What is the InChIKey of 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol?
The InChIKey is LHFXYONPEBVTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-8-15-7-10(17-8)6-14-5-9-3-2-4-11(13)12(9)16/h2-4,7,14,16H,5-6H2,1H3.
What are the key properties of 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol?
2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol has a molecular weight of 252.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol is sourced from PubChem (CID 112606660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).