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

C11H9N3O3S — CID 11043604

IUPAC[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C11H9N3O3S/c1-7(15)17-8-3-2-4-12-9(8)10(16)14-11-13-5-6-18-11/h2-6H,1H3,(H,13,14,16)
InChIKeyFOBCKDHVTPVIDL-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.72
Rot. Bonds3

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

[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate (PubChem CID 11043604) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate
PubChem CID11043604
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C11H9N3O3S/c1-7(15)17-8-3-2-4-12-9(8)10(16)14-11-13-5-6-18-11/h2-6H,1H3,(H,13,14,16)
InChIKeyFOBCKDHVTPVIDL-UHFFFAOYSA-N
XLogP1.72
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.72
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] acetate?
The IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate (CID 11043604) is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate.
What is the SMILES notation for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate?
The canonical SMILES for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate is CC(=O)Oc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate?
The InChIKey is FOBCKDHVTPVIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-7(15)17-8-3-2-4-12-9(8)10(16)14-11-13-5-6-18-11/h2-6H,1H3,(H,13,14,16).
What are the key properties of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate?
[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] acetate has a molecular weight of 263.28 g/mol, XLogP of 1.72, 3 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] acetate is sourced from PubChem (CID 11043604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).