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

C13H13N3O2S — CID 126812735

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCCn1cc(NC(=O)C=Cc2cncs2)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)
InChIKeyIAFKIROPBBVEAD-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.98
Rot. Bonds4

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

N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 126812735) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
PubChem CID126812735
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCCn1cc(NC(=O)C=Cc2cncs2)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)
InChIKeyIAFKIROPBBVEAD-UHFFFAOYSA-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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Related Compounds

N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75389323
(Z)-2-amino-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 178688998
(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 131242995
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787609
N-[(2S)-but-3-en-2-yl]-2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-3-carboxamide
CID 168205568
5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 58709774
5-Amino-1-methyl-3-thiazol-5-yl-1H-pyridin-2-one
CID 58710057
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 68849301
(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 70837535
5-(ethylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 71046830
3-(1,3-Thiazol-5-yl)prop-2-enamide
CID 76221186
2,2-dimethyl-N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]propanamide
CID 118544308

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide (CID 126812735) is N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide is CCn1cc(NC(=O)C=Cc2cncs2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is IAFKIROPBBVEAD-UHFFFAOYSA-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).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide?
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 N-(1-ethyl-6-oxo-3-pyridinyl)-3-(1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 126812735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).