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

C24H21NO2S — CID 18956566

IUPAC1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C24H21NO2S/c1-17(26)18-7-9-19(10-8-18)20-11-13-23(14-12-20)27-15-22-16-28-24(25-22)21-5-3-2-4-6-21/h2-14,16-17,26H,15H2,1H3
InChIKeyVODAJJVFJSSWLR-UHFFFAOYSA-N
MW387.50 g/mol
LogP6.11
Rot. Bonds6

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

1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol (PubChem CID 18956566) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
PubChem CID18956566
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC Name1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C24H21NO2S/c1-17(26)18-7-9-19(10-8-18)20-11-13-23(14-12-20)27-15-22-16-28-24(25-22)21-5-3-2-4-6-21/h2-14,16-17,26H,15H2,1H3
InChIKeyVODAJJVFJSSWLR-UHFFFAOYSA-N
XLogP6.11
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
3-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]butanoic acid
CID 70842742
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
CID 7550705
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-cyclohexylmethanol
CID 10811714
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35343656

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol?
The IUPAC name of 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol (CID 18956566) is 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol is CC(O)c1ccc(-c2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol?
The InChIKey is VODAJJVFJSSWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c1-17(26)18-7-9-19(10-8-18)20-11-13-23(14-12-20)27-15-22-16-28-24(25-22)21-5-3-2-4-6-21/h2-14,16-17,26H,15H2,1H3.
What are the key properties of 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol?
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol has a molecular weight of 387.50 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol is sourced from PubChem (CID 18956566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).