2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol

C13H15FN2OS — CID 112606838

IUPAC2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCc1csc(CCNCc2cccc(F)c2O)n1
InChIInChI=1S/C13H15FN2OS/c1-9-8-18-12(16-9)5-6-15-7-10-3-2-4-11(14)13(10)17/h2-4,8,15,17H,5-7H2,1H3
InChIKeyLQKHLJCPKPUEEA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds5

About 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol

2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol (PubChem CID 112606838) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
PubChem CID112606838
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCc1csc(CCNCc2cccc(F)c2O)n1
InChIInChI=1S/C13H15FN2OS/c1-9-8-18-12(16-9)5-6-15-7-10-3-2-4-11(14)13(10)17/h2-4,8,15,17H,5-7H2,1H3
InChIKeyLQKHLJCPKPUEEA-UHFFFAOYSA-N
XLogP2.63
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
4-bromo-2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 113229731
2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 104916777
2,4-dichloro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62734645
2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
CID 112606678
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
2-fluoro-6-[[(4-methylthiophen-3-yl)methylamino]methyl]phenol
CID 112607074
3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 63242570
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414117
2-amino-6-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62058190

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol (CID 112606838) is 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol is Cc1csc(CCNCc2cccc(F)c2O)n1.
What is the InChIKey of 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The InChIKey is LQKHLJCPKPUEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-9-8-18-12(16-9)5-6-15-7-10-3-2-4-11(14)13(10)17/h2-4,8,15,17H,5-7H2,1H3.
What are the key properties of 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol has a molecular weight of 266.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 112606838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).