3-(2-benzyl-1,3-thiazol-4-yl)phenol

C16H13NOS — CID 22054946

IUPAC3-(2-benzyl-1,3-thiazol-4-yl)phenol
SMILESOc1cccc(-c2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C16H13NOS/c18-14-8-4-7-13(10-14)15-11-19-16(17-15)9-12-5-2-1-3-6-12/h1-8,10-11,18H,9H2
InChIKeyYMOIRGPWBXAZMD-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.11
Rot. Bonds3

About 3-(2-benzyl-1,3-thiazol-4-yl)phenol

3-(2-benzyl-1,3-thiazol-4-yl)phenol (PubChem CID 22054946) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(2-benzyl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-benzyl-1,3-thiazol-4-yl)phenol
PubChem CID22054946
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name3-(2-benzyl-1,3-thiazol-4-yl)phenol
SMILESOc1cccc(-c2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C16H13NOS/c18-14-8-4-7-13(10-14)15-11-19-16(17-15)9-12-5-2-1-3-6-12/h1-8,10-11,18H,9H2
InChIKeyYMOIRGPWBXAZMD-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol
CID 22932379
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
CID 83130460
4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 82154926
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
3-(2-benzyl-1,3-oxazol-4-yl)phenol
CID 115046801
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 3-(2-benzyl-1,3-thiazol-4-yl)phenol (CID 22054946) is 3-(2-benzyl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 3-(2-benzyl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 3-(2-benzyl-1,3-thiazol-4-yl)phenol is Oc1cccc(-c2csc(Cc3ccccc3)n2)c1.
What is the InChIKey of 3-(2-benzyl-1,3-thiazol-4-yl)phenol?
The InChIKey is YMOIRGPWBXAZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-14-8-4-7-13(10-14)15-11-19-16(17-15)9-12-5-2-1-3-6-12/h1-8,10-11,18H,9H2.
What are the key properties of 3-(2-benzyl-1,3-thiazol-4-yl)phenol?
3-(2-benzyl-1,3-thiazol-4-yl)phenol has a molecular weight of 267.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 22054946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).