phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate

C15H10N2O2S — CID 2824239

IUPACphenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(Oc1ccccc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C15H10N2O2S/c18-15(19-12-6-2-1-3-7-12)13-10-20-14(17-13)11-5-4-8-16-9-11/h1-10H
InChIKeyKXAJMOCCJGPWJZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.42
Rot. Bonds3

About phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate

phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 2824239) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namephenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate
PubChem CID2824239
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Namephenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(Oc1ccccc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C15H10N2O2S/c18-15(19-12-6-2-1-3-7-12)13-10-20-14(17-13)11-5-4-8-16-9-11/h1-10H
InChIKeyKXAJMOCCJGPWJZ-UHFFFAOYSA-N
XLogP3.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate (CID 2824239) is phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate is O=C(Oc1ccccc1)c1csc(-c2cccnc2)n1.
What is the InChIKey of phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is KXAJMOCCJGPWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-15(19-12-6-2-1-3-7-12)13-10-20-14(17-13)11-5-4-8-16-9-11/h1-10H.
What are the key properties of phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate?
phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-pyridin-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2824239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).