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

C16H14N2OS — CID 649391

IUPAC4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol
SMILESCN(c1ccc(O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N2OS/c1-18(13-7-9-14(19)10-8-13)16-17-15(11-20-16)12-5-3-2-4-6-12/h2-11,19H,1H3
InChIKeyXDKOSPFALAXPJO-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.28
Rot. Bonds3

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

4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 649391) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol
PubChem CID649391
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol
SMILESCN(c1ccc(O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N2OS/c1-18(13-7-9-14(19)10-8-13)16-17-15(11-20-16)12-5-3-2-4-6-12/h2-11,19H,1H3
InChIKeyXDKOSPFALAXPJO-UHFFFAOYSA-N
XLogP4.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol (CID 649391) is 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol is CN(c1ccc(O)cc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is XDKOSPFALAXPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-18(13-7-9-14(19)10-8-13)16-17-15(11-20-16)12-5-3-2-4-6-12/h2-11,19H,1H3.
What are the key properties of 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 282.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 649391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).