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

C12H11N3O3S — CID 11087059

IUPAC[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C12H11N3O3S/c1-2-9(16)18-8-4-3-5-13-10(8)11(17)15-12-14-6-7-19-12/h3-7H,2H2,1H3,(H,14,15,17)
InChIKeyYGXRHUUAHDMSSQ-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.11
Rot. Bonds4

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

[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate (PubChem CID 11087059) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate
PubChem CID11087059
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C12H11N3O3S/c1-2-9(16)18-8-4-3-5-13-10(8)11(17)15-12-14-6-7-19-12/h3-7H,2H2,1H3,(H,14,15,17)
InChIKeyYGXRHUUAHDMSSQ-UHFFFAOYSA-N
XLogP2.11
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.11
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] propanoate?
The IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate (CID 11087059) is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate.
What is the SMILES notation for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate?
The canonical SMILES for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate is CCC(=O)Oc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate?
The InChIKey is YGXRHUUAHDMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-2-9(16)18-8-4-3-5-13-10(8)11(17)15-12-14-6-7-19-12/h3-7H,2H2,1H3,(H,14,15,17).
What are the key properties of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate?
[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] propanoate has a molecular weight of 277.31 g/mol, XLogP of 2.11, 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] propanoate is sourced from PubChem (CID 11087059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).