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

C17H16N2OS — CID 873220

IUPAC3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1C
InChIInChI=1S/C17H16N2OS/c1-11-6-7-13(8-12(11)2)16-10-21-17(19-16)18-14-4-3-5-15(20)9-14/h3-10,20H,1-2H3,(H,18,19)
InChIKeyCTKNAWCAFXXDAI-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.88
Rot. Bonds3

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

3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 873220) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID873220
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1C
InChIInChI=1S/C17H16N2OS/c1-11-6-7-13(8-12(11)2)16-10-21-17(19-16)18-14-4-3-5-15(20)9-14/h3-10,20H,1-2H3,(H,18,19)
InChIKeyCTKNAWCAFXXDAI-UHFFFAOYSA-N
XLogP4.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 873220) is 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol is Cc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1C.
What is the InChIKey of 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is CTKNAWCAFXXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-6-7-13(8-12(11)2)16-10-21-17(19-16)18-14-4-3-5-15(20)9-14/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol?
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 296.40 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 873220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).