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

C16H14N2OS — CID 887113

IUPAC4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H14N2OS/c1-11-2-4-12(5-3-11)15-10-20-16(18-15)17-13-6-8-14(19)9-7-13/h2-10,19H,1H3,(H,17,18)
InChIKeyKMCBWIWQRATTJD-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.57
Rot. Bonds3

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

4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 887113) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID887113
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H14N2OS/c1-11-2-4-12(5-3-11)15-10-20-16(18-15)17-13-6-8-14(19)9-7-13/h2-10,19H,1H3,(H,17,18)
InChIKeyKMCBWIWQRATTJD-UHFFFAOYSA-N
XLogP4.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 887113) is 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol is Cc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is KMCBWIWQRATTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-2-4-12(5-3-11)15-10-20-16(18-15)17-13-6-8-14(19)9-7-13/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 282.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 887113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).