N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide

C11H9N3O2S — CID 5400300

IUPACN-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=N/C(=C\c2cccnc2)C(=O)S1
InChIInChI=1S/C11H9N3O2S/c1-7(15)13-11-14-9(10(16)17-11)5-8-3-2-4-12-6-8/h2-6H,1H3,(H,13,14,15)/b9-5-
InChIKeyJUSMFYWCDZXYRD-UITAMQMPSA-N
MW247.28 g/mol
LogP1.19
Rot. Bonds1

About N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide

N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide (PubChem CID 5400300) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide
PubChem CID5400300
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC NameN-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=N/C(=C\c2cccnc2)C(=O)S1
InChIInChI=1S/C11H9N3O2S/c1-7(15)13-11-14-9(10(16)17-11)5-8-3-2-4-12-6-8/h2-6H,1H3,(H,13,14,15)/b9-5-
InChIKeyJUSMFYWCDZXYRD-UITAMQMPSA-N
XLogP1.19
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide
CID 696268
4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 149162535
(4E)-2-(3,4-dimethylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 108935903
ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate
CID 135498075
(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893246
2-(3-methoxyphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 3257062
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
N-(3,4-dimethylphenyl)-2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 126175781
(4Z)-2-(2-chloro-5-iodophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 19673559
(5Z)-3-ethyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18838800
3-propan-2-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1209892
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide (CID 5400300) is N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide is CC(=O)NC1=N/C(=C\c2cccnc2)C(=O)S1.
What is the InChIKey of N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JUSMFYWCDZXYRD-UITAMQMPSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-7(15)13-11-14-9(10(16)17-11)5-8-3-2-4-12-6-8/h2-6H,1H3,(H,13,14,15)/b9-5-.
What are the key properties of N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide?
N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide has a molecular weight of 247.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-5-oxo-4-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5400300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).