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

C17H15NO3S — CID 158454264

IUPAC4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccc(O)cc3)cs2)c(OC)c1
InChIInChI=1S/C17H15NO3S/c1-20-13-7-8-14(16(9-13)21-2)17-18-15(10-22-17)11-3-5-12(19)6-4-11/h3-10,19H,1-2H3
InChIKeyHEJLHRSYTRXIQY-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.20
Rot. Bonds4

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

4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol (PubChem CID 158454264) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol
PubChem CID158454264
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccc(O)cc3)cs2)c(OC)c1
InChIInChI=1S/C17H15NO3S/c1-20-13-7-8-14(16(9-13)21-2)17-18-15(10-22-17)11-3-5-12(19)6-4-11/h3-10,19H,1-2H3
InChIKeyHEJLHRSYTRXIQY-UHFFFAOYSA-N
XLogP4.20
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol (CID 158454264) is 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol is COc1ccc(-c2nc(-c3ccc(O)cc3)cs2)c(OC)c1.
What is the InChIKey of 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol?
The InChIKey is HEJLHRSYTRXIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-20-13-7-8-14(16(9-13)21-2)17-18-15(10-22-17)11-3-5-12(19)6-4-11/h3-10,19H,1-2H3.
What are the key properties of 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol?
4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol has a molecular weight of 313.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 158454264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).