(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide

C13H13N3O2S — CID 100709192

IUPAC(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCCn1cc(NC(=O)/C=C/c2cncs2)ccc1=O
InChIInChI=1S/C13H13N3O2S/c1-2-16-8-10(3-6-13(16)18)15-12(17)5-4-11-7-14-9-19-11/h3-9H,2H2,1H3,(H,15,17)/b5-4+
InChIKeyIAFKIROPBBVEAD-SNAWJCMRSA-N
MW275.33 g/mol
LogP1.98
Rot. Bonds4

About (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide

(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 100709192) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
PubChem CID100709192
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCCn1cc(NC(=O)/C=C/c2cncs2)ccc1=O
InChIInChI=1S/C13H13N3O2S/c1-2-16-8-10(3-6-13(16)18)15-12(17)5-4-11-7-14-9-19-11/h3-9H,2H2,1H3,(H,15,17)/b5-4+
InChIKeyIAFKIROPBBVEAD-SNAWJCMRSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide (CID 100709192) is (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide is CCn1cc(NC(=O)/C=C/c2cncs2)ccc1=O.
What is the InChIKey of (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is IAFKIROPBBVEAD-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-2-16-8-10(3-6-13(16)18)15-12(17)5-4-11-7-14-9-19-11/h3-9H,2H2,1H3,(H,15,17)/b5-4+.
What are the key properties of (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 275.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 100709192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).