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

C16H10FN3O3S — CID 10980829

IUPAC[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate
SMILESO=C(Oc1cccnc1C(=O)Nc1nccs1)c1cccc(F)c1
InChIInChI=1S/C16H10FN3O3S/c17-11-4-1-3-10(9-11)15(22)23-12-5-2-6-18-13(12)14(21)20-16-19-7-8-24-16/h1-9H,(H,19,20,21)
InChIKeySHXAAGAIWUDRGY-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.15
Rot. Bonds4

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

[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate (PubChem CID 10980829) has the molecular formula C16H10FN3O3S and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate
PubChem CID10980829
Molecular FormulaC16H10FN3O3S
Molecular Weight343.34 g/mol
Exact Mass343.04
IUPAC Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate
SMILESO=C(Oc1cccnc1C(=O)Nc1nccs1)c1cccc(F)c1
InChIInChI=1S/C16H10FN3O3S/c17-11-4-1-3-10(9-11)15(22)23-12-5-2-6-18-13(12)14(21)20-16-19-7-8-24-16/h1-9H,(H,19,20,21)
InChIKeySHXAAGAIWUDRGY-UHFFFAOYSA-N
XLogP3.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.15
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] 3-fluorobenzoate?
The IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate (CID 10980829) is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate.
What is the SMILES notation for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate?
The canonical SMILES for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate is O=C(Oc1cccnc1C(=O)Nc1nccs1)c1cccc(F)c1.
What is the InChIKey of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate?
The InChIKey is SHXAAGAIWUDRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O3S/c17-11-4-1-3-10(9-11)15(22)23-12-5-2-6-18-13(12)14(21)20-16-19-7-8-24-16/h1-9H,(H,19,20,21).
What are the key properties of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate?
[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 3-fluorobenzoate has a molecular weight of 343.34 g/mol, XLogP of 3.15, 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] 3-fluorobenzoate is sourced from PubChem (CID 10980829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).