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

C16H14N2OS — CID 60927719

IUPAC2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H14N2OS/c19-15-4-2-1-3-13(15)11-18-14-7-5-12(6-8-14)16-17-9-10-20-16/h1-10,18-19H,11H2
InChIKeyWJZDRSGVOSIPFN-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.13
Rot. Bonds4

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

2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol (PubChem CID 60927719) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
PubChem CID60927719
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H14N2OS/c19-15-4-2-1-3-13(15)11-18-14-7-5-12(6-8-14)16-17-9-10-20-16/h1-10,18-19H,11H2
InChIKeyWJZDRSGVOSIPFN-UHFFFAOYSA-N
XLogP4.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol?
The IUPAC name of 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol (CID 60927719) is 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol?
The canonical SMILES for 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol is Oc1ccccc1CNc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol?
The InChIKey is WJZDRSGVOSIPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-15-4-2-1-3-13(15)11-18-14-7-5-12(6-8-14)16-17-9-10-20-16/h1-10,18-19H,11H2.
What are the key properties of 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol?
2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol has a molecular weight of 282.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol is sourced from PubChem (CID 60927719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).