(Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid

C11H9N3O2S — CID 88706336

IUPAC(Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid
SMILESNc1nc(/C(=C/c2cccnc2)C(=O)O)cs1
InChIInChI=1S/C11H9N3O2S/c12-11-14-9(6-17-11)8(10(15)16)4-7-2-1-3-13-5-7/h1-6H,(H2,12,14)(H,15,16)/b8-4-
InChIKeyXDKZVKLDEFNFGD-YWEYNIOJSA-N
MW247.28 g/mol
LogP1.75
Rot. Bonds3

About (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid

(Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid (PubChem CID 88706336) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid
PubChem CID88706336
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name(Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid
SMILESNc1nc(/C(=C/c2cccnc2)C(=O)O)cs1
InChIInChI=1S/C11H9N3O2S/c12-11-14-9(6-17-11)8(10(15)16)4-7-2-1-3-13-5-7/h1-6H,(H2,12,14)(H,15,16)/b8-4-
InChIKeyXDKZVKLDEFNFGD-YWEYNIOJSA-N
XLogP1.75
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid (CID 88706336) is (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid is Nc1nc(/C(=C/c2cccnc2)C(=O)O)cs1.
What is the InChIKey of (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid?
The InChIKey is XDKZVKLDEFNFGD-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H9N3O2S/c12-11-14-9(6-17-11)8(10(15)16)4-7-2-1-3-13-5-7/h1-6H,(H2,12,14)(H,15,16)/b8-4-.
What are the key properties of (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid?
(Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid has a molecular weight of 247.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-pyridin-3-ylprop-2-enoic acid is sourced from PubChem (CID 88706336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).