[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol

C17H15NO2S — CID 53273724

IUPAC[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(-c2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C17H15NO2S/c19-11-17-18-10-16(21-17)14-6-8-15(9-7-14)20-12-13-4-2-1-3-5-13/h1-10,19H,11-12H2
InChIKeyCRWUODMZPYPQIR-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.88
Rot. Bonds5

About [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol

[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 53273724) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol
PubChem CID53273724
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(-c2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C17H15NO2S/c19-11-17-18-10-16(21-17)14-6-8-15(9-7-14)20-12-13-4-2-1-3-5-13/h1-10,19H,11-12H2
InChIKeyCRWUODMZPYPQIR-UHFFFAOYSA-N
XLogP3.88
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273035
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine
CID 175646915
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
[2-(4-phenylmethoxyphenyl)pyrimidin-5-yl]boronic acid
CID 22446906
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760

Frequently Asked Questions

What is the IUPAC name of [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol (CID 53273724) is [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol is OCc1ncc(-c2ccc(OCc3ccccc3)cc2)s1.
What is the InChIKey of [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is CRWUODMZPYPQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-11-17-18-10-16(21-17)14-6-8-15(9-7-14)20-12-13-4-2-1-3-5-13/h1-10,19H,11-12H2.
What are the key properties of [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol?
[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 297.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 53273724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).