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

C13H10N2OS2 — CID 793670

IUPAC4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C13H10N2OS2/c16-10-5-3-9(4-6-10)14-13-15-11(8-18-13)12-2-1-7-17-12/h1-8,16H,(H,14,15)
InChIKeyCYHUWUQCNGKSKF-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.32
Rot. Bonds3

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

4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 793670) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
PubChem CID793670
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C13H10N2OS2/c16-10-5-3-9(4-6-10)14-13-15-11(8-18-13)12-2-1-7-17-12/h1-8,16H,(H,14,15)
InChIKeyCYHUWUQCNGKSKF-UHFFFAOYSA-N
XLogP4.32
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol (CID 793670) is 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol is Oc1ccc(Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is CYHUWUQCNGKSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-10-5-3-9(4-6-10)14-13-15-11(8-18-13)12-2-1-7-17-12/h1-8,16H,(H,14,15).
What are the key properties of 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol?
4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 274.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 793670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).