3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one

C22H23N3O2S — CID 6480047

IUPAC3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\c2nccs2)c1
InChIInChI=1S/C22H23N3O2S/c1-5-17-14(2)24-22(27)20(25(3)4)19(17)21(26)16-8-6-7-15(13-16)9-10-18-23-11-12-28-18/h6-13H,5H2,1-4H3,(H,24,27)/b10-9-
InChIKeyVUJPIWHYIZLNND-KTKRTIGZSA-N
MW393.51 g/mol
LogP4.17
Rot. Bonds6

About 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one

3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one (PubChem CID 6480047) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one
PubChem CID6480047
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\c2nccs2)c1
InChIInChI=1S/C22H23N3O2S/c1-5-17-14(2)24-22(27)20(25(3)4)19(17)21(26)16-8-6-7-15(13-16)9-10-18-23-11-12-28-18/h6-13H,5H2,1-4H3,(H,24,27)/b10-9-
InChIKeyVUJPIWHYIZLNND-KTKRTIGZSA-N
XLogP4.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,beta,beta-trimethyl-L-phenylalanyl-N1-[(1S,2E)-1-isopropyl-3-methyl-4-oxo-4-(1,3-thiazol-2-yl)but-2-enyl]-N1,3-dimethyl-L-valinamide
CID 11613574
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-thiazol-2-ylbenzoyl)-1H-pyridin-2-one
CID 3012801
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-thiazol-2-ylvinyl]benzoyl]-1H-pyridin-2-one
CID 6480048
3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71984321
N-[(2R)-1-(2-fluorophenyl)-3,4-dioxo-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
CID 176455928
N-[(2R)-1-(3-fluorophenyl)-3,4-dioxo-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
CID 176455929
N-[(2R)-1-(4-fluorophenyl)-3,4-dioxo-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
CID 176455930
N-[(2R)-3,4-dioxo-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]-2-fluorobenzamide
CID 176455935
N-[(2R)-3,4-dioxo-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]-3-fluorobenzamide
CID 176455936
N-[(2R)-3,4-dioxo-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]-4-fluorobenzamide
CID 176455937
1-Butyl-4-[3-(1,3-thiazol-2-YL)benzoyl]piperazin-2-one
CID 118765110
2-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-ylmethylidene)cycloheptyl]cyclohexa-1,5-dien-1-yl]benzamide
CID 91530863

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one (CID 6480047) is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\c2nccs2)c1.
What is the InChIKey of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one?
The InChIKey is VUJPIWHYIZLNND-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-5-17-14(2)24-22(27)20(25(3)4)19(17)21(26)16-8-6-7-15(13-16)9-10-18-23-11-12-28-18/h6-13H,5H2,1-4H3,(H,24,27)/b10-9-.
What are the key properties of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one?
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one has a molecular weight of 393.51 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one is sourced from PubChem (CID 6480047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).