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

C17H16N2O3S — CID 877520

IUPAC4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1OC
InChIInChI=1S/C17H16N2O3S/c1-21-15-8-3-11(9-16(15)22-2)14-10-23-17(19-14)18-12-4-6-13(20)7-5-12/h3-10,20H,1-2H3,(H,18,19)
InChIKeyDBYPZNYGJKOYRR-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.28
Rot. Bonds5

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

4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 877520) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID877520
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1OC
InChIInChI=1S/C17H16N2O3S/c1-21-15-8-3-11(9-16(15)22-2)14-10-23-17(19-14)18-12-4-6-13(20)7-5-12/h3-10,20H,1-2H3,(H,18,19)
InChIKeyDBYPZNYGJKOYRR-UHFFFAOYSA-N
XLogP4.28
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 877520) is 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is COc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1OC.
What is the InChIKey of 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is DBYPZNYGJKOYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-15-8-3-11(9-16(15)22-2)14-10-23-17(19-14)18-12-4-6-13(20)7-5-12/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 328.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 877520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).