4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol

C11H11FN2OS — CID 104589056

IUPAC4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNCc1cncs1
InChIInChI=1S/C11H11FN2OS/c12-9-1-2-11(15)8(3-9)4-13-5-10-6-14-7-16-10/h1-3,6-7,13,15H,4-5H2
InChIKeyCUIJFQVNIZPZIC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.28
Rot. Bonds4

About 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol

4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol (PubChem CID 104589056) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
PubChem CID104589056
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNCc1cncs1
InChIInChI=1S/C11H11FN2OS/c12-9-1-2-11(15)8(3-9)4-13-5-10-6-14-7-16-10/h1-3,6-7,13,15H,4-5H2
InChIKeyCUIJFQVNIZPZIC-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.28
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-[[(5-bromothiophen-2-yl)methylamino]methyl]-4-fluorophenol
CID 113356869
1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589055
4-fluoro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 91811726
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 102919966
2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732273
5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole
CID 90882349
2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732274
4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
CID 103948383

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol (CID 104589056) is 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol is Oc1ccc(F)cc1CNCc1cncs1.
What is the InChIKey of 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The InChIKey is CUIJFQVNIZPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-9-1-2-11(15)8(3-9)4-13-5-10-6-14-7-16-10/h1-3,6-7,13,15H,4-5H2.
What are the key properties of 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol has a molecular weight of 238.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol is sourced from PubChem (CID 104589056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).