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

C16H13NO2S — CID 829532

IUPAC4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol
SMILESCOc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H13NO2S/c1-19-14-8-4-11(5-9-14)15-10-20-16(17-15)12-2-6-13(18)7-3-12/h2-10,18H,1H3
InChIKeyCMUHRHATUSDYTQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.19
Rot. Bonds3

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

4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol (PubChem CID 829532) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol
PubChem CID829532
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol
SMILESCOc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H13NO2S/c1-19-14-8-4-11(5-9-14)15-10-20-16(17-15)12-2-6-13(18)7-3-12/h2-10,18H,1H3
InChIKeyCMUHRHATUSDYTQ-UHFFFAOYSA-N
XLogP4.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol (CID 829532) is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol is COc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is CMUHRHATUSDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-19-14-8-4-11(5-9-14)15-10-20-16(17-15)12-2-6-13(18)7-3-12/h2-10,18H,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol?
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 283.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 829532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).