1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol

C18H17FN2OS — CID 110901257

IUPAC1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1csc(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C18H17FN2OS/c19-16-9-5-4-8-15(16)17(22)11-20-10-14-12-23-18(21-14)13-6-2-1-3-7-13/h1-9,12,17,20,22H,10-11H2
InChIKeyPPVPRLKQOHHDAA-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.77
Rot. Bonds6

About 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol

1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol (PubChem CID 110901257) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
PubChem CID110901257
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1csc(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C18H17FN2OS/c19-16-9-5-4-8-15(16)17(22)11-20-10-14-12-23-18(21-14)13-6-2-1-3-7-13/h1-9,12,17,20,22H,10-11H2
InChIKeyPPVPRLKQOHHDAA-UHFFFAOYSA-N
XLogP3.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425450
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440463
1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone
CID 133331272
4-[[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355701
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 90124709
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
CID 110887723
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
CID 60743964

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol (CID 110901257) is 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol is OC(CNCc1csc(-c2ccccc2)n1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol?
The InChIKey is PPVPRLKQOHHDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-16-9-5-4-8-15(16)17(22)11-20-10-14-12-23-18(21-14)13-6-2-1-3-7-13/h1-9,12,17,20,22H,10-11H2.
What are the key properties of 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol?
1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol has a molecular weight of 328.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 110901257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).