6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

C14H14N4O3S — CID 73338983

IUPAC6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESC=CCNC(=O)Cc1csc(NC(=O)C2C=CC(=O)N=C2)n1
InChIInChI=1S/C14H14N4O3S/c1-2-5-15-12(20)6-10-8-22-14(17-10)18-13(21)9-3-4-11(19)16-7-9/h2-4,7-9H,1,5-6H2,(H,15,20)(H,17,18,21)
InChIKeyJKXHHMXCQIVAHJ-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.71
Rot. Bonds6

About 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (PubChem CID 73338983) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
PubChem CID73338983
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESC=CCNC(=O)Cc1csc(NC(=O)C2C=CC(=O)N=C2)n1
InChIInChI=1S/C14H14N4O3S/c1-2-5-15-12(20)6-10-8-22-14(17-10)18-13(21)9-3-4-11(19)16-7-9/h2-4,7-9H,1,5-6H2,(H,15,20)(H,17,18,21)
InChIKeyJKXHHMXCQIVAHJ-UHFFFAOYSA-N
XLogP0.71
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338988
ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
CID 73339075
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
CID 73339054
6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75120554
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110374660
2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 55413439
2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110389752
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327942

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (CID 73338983) is 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is C=CCNC(=O)Cc1csc(NC(=O)C2C=CC(=O)N=C2)n1.
What is the InChIKey of 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The InChIKey is JKXHHMXCQIVAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-2-5-15-12(20)6-10-8-22-14(17-10)18-13(21)9-3-4-11(19)16-7-9/h2-4,7-9H,1,5-6H2,(H,15,20)(H,17,18,21).
What are the key properties of 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is sourced from PubChem (CID 73338983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).