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

C16H15BrN2O2S — CID 2877505

IUPAC4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
SMILESBr.COc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H14N2O2S.BrH/c1-20-14-8-2-11(3-9-14)15-10-21-16(18-15)17-12-4-6-13(19)7-5-12;/h2-10,19H,1H3,(H,17,18);1H
InChIKeyJFZSNQORJMPSMV-UHFFFAOYSA-N
MW379.28 g/mol
LogP4.85
Rot. Bonds4

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

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide (PubChem CID 2877505) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
PubChem CID2877505
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
SMILESBr.COc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H14N2O2S.BrH/c1-20-14-8-2-11(3-9-14)15-10-21-16(18-15)17-12-4-6-13(19)7-5-12;/h2-10,19H,1H3,(H,17,18);1H
InChIKeyJFZSNQORJMPSMV-UHFFFAOYSA-N
XLogP4.85
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide (CID 2877505) is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide is Br.COc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The InChIKey is JFZSNQORJMPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S.BrH/c1-20-14-8-2-11(3-9-14)15-10-21-16(18-15)17-12-4-6-13(19)7-5-12;/h2-10,19H,1H3,(H,17,18);1H.
What are the key properties of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide has a molecular weight of 379.28 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide is sourced from PubChem (CID 2877505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).