[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol

C23H24ClNO2S — CID 10811714

IUPAC[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol
SMILESOC(c1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1)C1CCCCC1
InChIInChI=1S/C23H24ClNO2S/c24-19-10-6-18(7-11-19)23-25-20(15-28-23)14-27-21-12-8-17(9-13-21)22(26)16-4-2-1-3-5-16/h6-13,15-16,22,26H,1-5,14H2
InChIKeyFATISBJGBFLZAY-UHFFFAOYSA-N
MW413.97 g/mol
LogP6.66
Rot. Bonds6

About [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol

[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol (PubChem CID 10811714) has the molecular formula C23H24ClNO2S and a molecular weight of 413.97 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol
PubChem CID10811714
Molecular FormulaC23H24ClNO2S
Molecular Weight413.97 g/mol
Exact Mass413.12
IUPAC Name[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol
SMILESOC(c1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1)C1CCCCC1
InChIInChI=1S/C23H24ClNO2S/c24-19-10-6-18(7-11-19)23-25-20(15-28-23)14-27-21-12-8-17(9-13-21)22(26)16-4-2-1-3-5-16/h6-13,15-16,22,26H,1-5,14H2
InChIKeyFATISBJGBFLZAY-UHFFFAOYSA-N
XLogP6.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.97
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
cyclohexyl-[4-[(6-fluoroquinolin-2-yl)methoxy]phenyl]methanol
CID 11793224
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 6482546
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55478764
cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol
CID 10641616
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol?
The IUPAC name of [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol (CID 10811714) is [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol is OC(c1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1)C1CCCCC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol?
The InChIKey is FATISBJGBFLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2S/c24-19-10-6-18(7-11-19)23-25-20(15-28-23)14-27-21-12-8-17(9-13-21)22(26)16-4-2-1-3-5-16/h6-13,15-16,22,26H,1-5,14H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol?
[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol has a molecular weight of 413.97 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol is sourced from PubChem (CID 10811714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).