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

C20H21N3O2S — CID 3012801

IUPAC3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C20H21N3O2S/c1-5-15-12(2)22-19(25)17(23(3)4)16(15)18(24)13-7-6-8-14(11-13)20-21-9-10-26-20/h6-11H,5H2,1-4H3,(H,22,25)
InChIKeyQTKVACNXVSLSQZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.67
Rot. Bonds5

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

3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one (PubChem CID 3012801) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one
PubChem CID3012801
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C20H21N3O2S/c1-5-15-12(2)22-19(25)17(23(3)4)16(15)18(24)13-7-6-8-14(11-13)20-21-9-10-26-20/h6-11H,5H2,1-4H3,(H,22,25)
InChIKeyQTKVACNXVSLSQZ-UHFFFAOYSA-N
XLogP3.67
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one (CID 3012801) is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one?
The InChIKey is QTKVACNXVSLSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-5-15-12(2)22-19(25)17(23(3)4)16(15)18(24)13-7-6-8-14(11-13)20-21-9-10-26-20/h6-11H,5H2,1-4H3,(H,22,25).
What are the key properties of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one?
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.67, 5 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-(1,3-thiazol-2-yl)benzoyl]-1H-pyridin-2-one is sourced from PubChem (CID 3012801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).