4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol

C16H13NO2S — CID 53391458

IUPAC4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
SMILESOc1ccc(Cc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C16H13NO2S/c18-13-5-1-11(2-6-13)9-16-17-15(10-20-16)12-3-7-14(19)8-4-12/h1-8,10,18-19H,9H2
InChIKeyAVLNRVQTGOYDNP-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.81
Rot. Bonds3

About 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol

4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol (PubChem CID 53391458) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
PubChem CID53391458
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
SMILESOc1ccc(Cc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C16H13NO2S/c18-13-5-1-11(2-6-13)9-16-17-15(10-20-16)12-3-7-14(19)8-4-12/h1-8,10,18-19H,9H2
InChIKeyAVLNRVQTGOYDNP-UHFFFAOYSA-N
XLogP3.81
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906
4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 163208092
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide
CID 121235637
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
CID 84567447
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
CID 1482059
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
4-[2-[[(4-nitrophenyl)methylamino]methyl]-1,3-thiazol-4-yl]phenol
CID 174450675

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol?
The IUPAC name of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol (CID 53391458) is 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol is Oc1ccc(Cc2nc(-c3ccc(O)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol?
The InChIKey is AVLNRVQTGOYDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-13-5-1-11(2-6-13)9-16-17-15(10-20-16)12-3-7-14(19)8-4-12/h1-8,10,18-19H,9H2.
What are the key properties of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol?
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol has a molecular weight of 283.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol is sourced from PubChem (CID 53391458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).