(E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide

C14H15N3O2S — CID 75534129

IUPAC(E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncc(/C=C/C(=O)Nc2cn(C)c(=O)cc2C)s1
InChIInChI=1S/C14H15N3O2S/c1-9-6-14(19)17(3)8-12(9)16-13(18)5-4-11-7-15-10(2)20-11/h4-8H,1-3H3,(H,16,18)/b5-4+
InChIKeyBLWUQTLLWULTBQ-SNAWJCMRSA-N
MW289.36 g/mol
LogP2.11
Rot. Bonds3

About (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide

(E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 75534129) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID75534129
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncc(/C=C/C(=O)Nc2cn(C)c(=O)cc2C)s1
InChIInChI=1S/C14H15N3O2S/c1-9-6-14(19)17(3)8-12(9)16-13(18)5-4-11-7-15-10(2)20-11/h4-8H,1-3H3,(H,16,18)/b5-4+
InChIKeyBLWUQTLLWULTBQ-SNAWJCMRSA-N
XLogP2.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.11
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-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide (CID 75534129) is (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide is Cc1ncc(/C=C/C(=O)Nc2cn(C)c(=O)cc2C)s1.
What is the InChIKey of (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is BLWUQTLLWULTBQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-6-14(19)17(3)8-12(9)16-13(18)5-4-11-7-15-10(2)20-11/h4-8H,1-3H3,(H,16,18)/b5-4+.
What are the key properties of (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 289.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 75534129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).