[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol

C14H14FNOS — CID 116891056

IUPAC[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol
SMILESOCC1(c2csc(-c3cccc(F)c3)n2)CCC1
InChIInChI=1S/C14H14FNOS/c15-11-4-1-3-10(7-11)13-16-12(8-18-13)14(9-17)5-2-6-14/h1,3-4,7-8,17H,2,5-6,9H2
InChIKeyWAGREBBIZJAXAK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.36
Rot. Bonds3

About [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol

[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol (PubChem CID 116891056) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol
PubChem CID116891056
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol
SMILESOCC1(c2csc(-c3cccc(F)c3)n2)CCC1
InChIInChI=1S/C14H14FNOS/c15-11-4-1-3-10(7-11)13-16-12(8-18-13)14(9-17)5-2-6-14/h1,3-4,7-8,17H,2,5-6,9H2
InChIKeyWAGREBBIZJAXAK-UHFFFAOYSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol
CID 102543907
1-[[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544926
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
1-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540371
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116902504
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546404
2-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 95472481
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119455230
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol?
The IUPAC name of [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol (CID 116891056) is [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol.
What is the SMILES notation for [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol?
The canonical SMILES for [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol is OCC1(c2csc(-c3cccc(F)c3)n2)CCC1.
What is the InChIKey of [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol?
The InChIKey is WAGREBBIZJAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c15-11-4-1-3-10(7-11)13-16-12(8-18-13)14(9-17)5-2-6-14/h1,3-4,7-8,17H,2,5-6,9H2.
What are the key properties of [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol?
[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol has a molecular weight of 263.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol is sourced from PubChem (CID 116891056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).