1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol

C16H18F2N2OS — CID 111916297

IUPAC1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
SMILESOC(CNC1(c2nccs2)CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)9-11)14(21)10-20-16(5-1-2-6-16)15-19-7-8-22-15/h3-4,7-9,14,20-21H,1-2,5-6,10H2
InChIKeyLDKZXBORFKMMAQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.51
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol

1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol (PubChem CID 111916297) has the molecular formula C16H18F2N2OS and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
PubChem CID111916297
Molecular FormulaC16H18F2N2OS
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
SMILESOC(CNC1(c2nccs2)CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)9-11)14(21)10-20-16(5-1-2-6-16)15-19-7-8-22-15/h3-4,7-9,14,20-21H,1-2,5-6,10H2
InChIKeyLDKZXBORFKMMAQ-UHFFFAOYSA-N
XLogP3.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl(1,3-thiazol-2-yl)methanol
CID 605604
[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiazol-2-yl-methanol
CID 46739067
(3-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-thiazol-2-yl-methanol
CID 71306496
(2R)-2-(3-fluorophenyl)-2-hydroxy-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 100067344
3,5-Difluoro-alpha-(thiazol-2-yl)benzenemethanol
CID 19426962
1,3-Difluoro-5-[3-hydroxy-3-(thiazol-2-yl)propen-3-yl]benzene
CID 19426986
(1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 22261733
2-[(2,5-Difluorophenyl)-hydroxymethyl]thiazole
CID 23114721
(4-Fluorophenyl)(thiazol-2-yl)methanol
CID 49960976
1-(4-Fluorophenyl)-1-(thiazol-2-yl)ethanol
CID 57428843
1-(3-Fluoro-5-sulfanylphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 67693984
1-(4-Fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 69330760

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol (CID 111916297) is 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol is OC(CNC1(c2nccs2)CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The InChIKey is LDKZXBORFKMMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)9-11)14(21)10-20-16(5-1-2-6-16)15-19-7-8-22-15/h3-4,7-9,14,20-21H,1-2,5-6,10H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol has a molecular weight of 324.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol is sourced from PubChem (CID 111916297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).