[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate

C11H9N3O3S — CID 652523

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1nccs1
InChIInChI=1S/C11H9N3O3S/c15-9(14-11-13-5-6-18-11)7-17-10(16)8-3-1-2-4-12-8/h1-6H,7H2,(H,13,14,15)
InChIKeyCPPDVIPXNQGMJZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.33
Rot. Bonds4

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate (PubChem CID 652523) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate
PubChem CID652523
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1nccs1
InChIInChI=1S/C11H9N3O3S/c15-9(14-11-13-5-6-18-11)7-17-10(16)8-3-1-2-4-12-8/h1-6H,7H2,(H,13,14,15)
InChIKeyCPPDVIPXNQGMJZ-UHFFFAOYSA-N
XLogP1.33
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate (CID 652523) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1nccs1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate?
The InChIKey is CPPDVIPXNQGMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-9(14-11-13-5-6-18-11)7-17-10(16)8-3-1-2-4-12-8/h1-6H,7H2,(H,13,14,15).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate has a molecular weight of 263.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] pyridine-2-carboxylate is sourced from PubChem (CID 652523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).