[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate

C16H11N3O3S — CID 10236724

IUPAC[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate
SMILESO=C(Oc1cccnc1C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C16H11N3O3S/c20-14(19-16-18-9-10-23-16)13-12(7-4-8-17-13)22-15(21)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKeyFRFLNGYWZCTYKA-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.01
Rot. Bonds4

About [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate

[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate (PubChem CID 10236724) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate
PubChem CID10236724
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate
SMILESO=C(Oc1cccnc1C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C16H11N3O3S/c20-14(19-16-18-9-10-23-16)13-12(7-4-8-17-13)22-15(21)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKeyFRFLNGYWZCTYKA-UHFFFAOYSA-N
XLogP3.01
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate?
The IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate (CID 10236724) is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate.
What is the SMILES notation for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate?
The canonical SMILES for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate is O=C(Oc1cccnc1C(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate?
The InChIKey is FRFLNGYWZCTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-14(19-16-18-9-10-23-16)13-12(7-4-8-17-13)22-15(21)11-5-2-1-3-6-11/h1-10H,(H,18,19,20).
What are the key properties of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate?
[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate has a molecular weight of 325.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] benzoate is sourced from PubChem (CID 10236724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).