ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide

C23H30N4O2S — CID 144869136

IUPACethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESC=CC1=C(C(=O)N(C)C)N(CC(=O)Nc2ccc(-c3nccs3)cc2)CCC1.CC
InChIInChI=1S/C21H24N4O2S.C2H6/c1-4-15-6-5-12-25(19(15)21(27)24(2)3)14-18(26)23-17-9-7-16(8-10-17)20-22-11-13-28-20;1-2/h4,7-11,13H,1,5-6,12,14H2,2-3H3,(H,23,26);1-2H3
InChIKeyOSACWENHQOUSDS-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.40
Rot. Bonds6

About ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide

ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide (PubChem CID 144869136) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Nameethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
PubChem CID144869136
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Nameethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESC=CC1=C(C(=O)N(C)C)N(CC(=O)Nc2ccc(-c3nccs3)cc2)CCC1.CC
InChIInChI=1S/C21H24N4O2S.C2H6/c1-4-15-6-5-12-25(19(15)21(27)24(2)3)14-18(26)23-17-9-7-16(8-10-17)20-22-11-13-28-20;1-2/h4,7-11,13H,1,5-6,12,14H2,2-3H3,(H,23,26);1-2H3
InChIKeyOSACWENHQOUSDS-UHFFFAOYSA-N
XLogP4.40
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-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-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide
CID 10193406
N-(2-amino-5-(thiazol-2-yl)phenyl)benzamide
CID 46887333
2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
2-(4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 1483697
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 118174156
2-[4-(2-Benzyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5o)
CID 73443010
2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-thiazolyl)acetamide
CID 2155202
2-[4-methyl(methylsulfonyl)anilino]-N-[2-(2-pyridinylsulfanyl)ethyl]acetamide
CID 2267370
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The IUPAC name of ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide (CID 144869136) is ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide.
What is the SMILES notation for ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The canonical SMILES for ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide is C=CC1=C(C(=O)N(C)C)N(CC(=O)Nc2ccc(-c3nccs3)cc2)CCC1.CC.
What is the InChIKey of ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The InChIKey is OSACWENHQOUSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.C2H6/c1-4-15-6-5-12-25(19(15)21(27)24(2)3)14-18(26)23-17-9-7-16(8-10-17)20-22-11-13-28-20;1-2/h4,7-11,13H,1,5-6,12,14H2,2-3H3,(H,23,26);1-2H3.
What are the key properties of ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide has a molecular weight of 426.59 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide is sourced from PubChem (CID 144869136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).