4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol

C18H18N2OS — CID 93206365

IUPAC4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol
SMILESCCc1ccc(-c2nc(Nc3ccc(O)cc3)sc2C)cc1
InChIInChI=1S/C18H18N2OS/c1-3-13-4-6-14(7-5-13)17-12(2)22-18(20-17)19-15-8-10-16(21)11-9-15/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyHPZSEMJEXYYPNA-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.13
Rot. Bonds4

About 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol

4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol (PubChem CID 93206365) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol
PubChem CID93206365
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol
SMILESCCc1ccc(-c2nc(Nc3ccc(O)cc3)sc2C)cc1
InChIInChI=1S/C18H18N2OS/c1-3-13-4-6-14(7-5-13)17-12(2)22-18(20-17)19-15-8-10-16(21)11-9-15/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyHPZSEMJEXYYPNA-UHFFFAOYSA-N
XLogP5.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
4-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 53387372
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 118713967
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126054464
4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
methyl 4-[[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 126050772
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 23882311

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol (CID 93206365) is 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol is CCc1ccc(-c2nc(Nc3ccc(O)cc3)sc2C)cc1.
What is the InChIKey of 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is HPZSEMJEXYYPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-3-13-4-6-14(7-5-13)17-12(2)22-18(20-17)19-15-8-10-16(21)11-9-15/h4-11,21H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 310.42 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 93206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).