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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Related Compounds

Itazigrel
CID 51087
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
2-(4-Methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 4554836
2-(4-Methoxyphenyl)-5-phenylthiazol-4-ol
CID 14425906
3-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093377
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(2-Methyl-1,3-thiazol-4-yl)phenol
CID 591743
4-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093376
4-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 135923569
4-(3-Bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 886409
4-(2,4-Dimethoxyphenyl)-2-phenyl-1,3-thiazole
CID 2441960

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).