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

C14H11N3OS — CID 704494

IUPAC4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C14H11N3OS/c18-12-3-1-11(2-4-12)16-14-17-13(9-19-14)10-5-7-15-8-6-10/h1-9,18H,(H,16,17)
InChIKeyCXBUDGYAYBLEHP-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.65
Rot. Bonds3

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

4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 704494) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol
PubChem CID704494
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C14H11N3OS/c18-12-3-1-11(2-4-12)16-14-17-13(9-19-14)10-5-7-15-8-6-10/h1-9,18H,(H,16,17)
InChIKeyCXBUDGYAYBLEHP-UHFFFAOYSA-N
XLogP3.65
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino)-Phenol
CID 447959
4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol
CID 447960
4-{[4-(3-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 704553
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
Azd-2184
CID 16663275
4-[2-(Pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 434633
4-(Methyl(4-phenylthiazol-2-yl)amino)phenol
CID 649391
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 22
CID 6539289
4-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]phenol
CID 6539291

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol (CID 704494) is 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol is Oc1ccc(Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is CXBUDGYAYBLEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-12-3-1-11(2-4-12)16-14-17-13(9-19-14)10-5-7-15-8-6-10/h1-9,18H,(H,16,17).
What are the key properties of 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol?
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 269.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 704494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).