4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol

C14H10N2O2S — CID 740464

IUPAC4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol
SMILESOc1ccc(-c2csc(-c3cccnc3)n2)cc1O
InChIInChI=1S/C14H10N2O2S/c17-12-4-3-9(6-13(12)18)11-8-19-14(16-11)10-2-1-5-15-7-10/h1-8,17-18H
InChIKeyUKBQJLVXHXHRLL-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.28
Rot. Bonds2

About 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol

4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol (PubChem CID 740464) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol
PubChem CID740464
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol
SMILESOc1ccc(-c2csc(-c3cccnc3)n2)cc1O
InChIInChI=1S/C14H10N2O2S/c17-12-4-3-9(6-13(12)18)11-8-19-14(16-11)10-2-1-5-15-7-10/h1-8,17-18H
InChIKeyUKBQJLVXHXHRLL-UHFFFAOYSA-N
XLogP3.28
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol (CID 740464) is 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol is Oc1ccc(-c2csc(-c3cccnc3)n2)cc1O.
What is the InChIKey of 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol?
The InChIKey is UKBQJLVXHXHRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-12-4-3-9(6-13(12)18)11-8-19-14(16-11)10-2-1-5-15-7-10/h1-8,17-18H.
What are the key properties of 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol?
4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol has a molecular weight of 270.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzene-1,2-diol is sourced from PubChem (CID 740464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).